USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 636 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 68 CYS SG : rot -134:sc= -0.12 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.273 USER MOD Set 2.1: A 17 MET CE :methyl 145:sc= -4.29! (180deg=-8.59!) USER MOD Set 2.2: A 49 SER OG : rot 26:sc= 0.969 USER MOD Set 2.3: A 64 HIS : no HE2:sc= -5.19! C(o=-8.5!,f=-26!) USER MOD Set 3.1: A 21 GLN : amide:sc= -0.141 X(o=-1.7,f=-1.9) USER MOD Set 3.2: A 24 GLN : amide:sc= -1.58! C(o=-1.7!,f=-1.9!) USER MOD Set 4.1: A 13 TYR OH : rot 158:sc= -1.07 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -170:sc= -0.75! (180deg=-0.988!) USER MOD Single : A 14 SER OG : rot -150:sc= -0.55 USER MOD Single : A 16 HIS : no HD1:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.301 (180deg=0.156) USER MOD Single : A 28 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0027) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0.0259 (180deg=0.0201) USER MOD Single : A 40 SER OG : rot -160:sc= 0.00507 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 0.413 (180deg=0.166) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.116) USER MOD Single : A 54 SER OG : rot 57:sc= 0.103 USER MOD Single : A 55 THR OG1 : rot -62:sc= -1.25! USER MOD Single : A 59 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 114:sc= -5.73! USER MOD Single : A 70 THR OG1 : rot -92:sc= -2.86! USER MOD Single : A 72 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.65! C(o=-9!,f=-5.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -57:sc= -0.404! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -2.772 3.259 -11.966 1.00 0.00 N ATOM 151 CA GLU A 11 -3.605 4.003 -10.976 1.00 0.00 C ATOM 152 C GLU A 11 -3.114 3.720 -9.555 1.00 0.00 C ATOM 153 O GLU A 11 -2.961 4.617 -8.750 1.00 0.00 O ATOM 154 CB GLU A 11 -5.028 3.468 -11.155 1.00 0.00 C ATOM 155 CG GLU A 11 -6.034 4.577 -10.860 1.00 0.00 C ATOM 156 CD GLU A 11 -6.146 5.504 -12.071 1.00 0.00 C ATOM 157 OE1 GLU A 11 -5.136 6.072 -12.452 1.00 0.00 O ATOM 158 OE2 GLU A 11 -7.239 5.628 -12.598 1.00 0.00 O ATOM 0 HA GLU A 11 -3.552 5.081 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.164 3.101 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.196 2.624 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.008 4.146 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.719 5.144 -9.984 1.00 0.00 H new ATOM 165 N TRP A 12 -2.878 2.474 -9.241 1.00 0.00 N ATOM 166 CA TRP A 12 -2.413 2.123 -7.866 1.00 0.00 C ATOM 167 C TRP A 12 -1.084 2.816 -7.535 1.00 0.00 C ATOM 168 O TRP A 12 -0.695 2.902 -6.389 1.00 0.00 O ATOM 169 CB TRP A 12 -2.235 0.602 -7.870 1.00 0.00 C ATOM 170 CG TRP A 12 -1.251 0.201 -8.924 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.572 -0.221 -10.169 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.204 0.172 -8.845 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.407 -0.505 -10.859 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.714 -0.279 -10.085 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.120 0.491 -7.826 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.085 -0.409 -10.307 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.501 0.361 -8.047 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.983 -0.089 -9.284 1.00 0.00 C ATOM 0 H TRP A 12 -2.987 1.684 -9.877 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.128 2.450 -7.111 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.889 0.266 -6.892 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.194 0.117 -8.053 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.574 -0.320 -10.560 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.379 -0.840 -11.822 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.759 0.838 -6.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.451 -0.755 -11.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.196 0.609 -7.259 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.046 -0.188 -9.447 1.00 0.00 H new ATOM 189 N TYR A 13 -0.381 3.307 -8.521 1.00 0.00 N ATOM 190 CA TYR A 13 0.921 3.981 -8.238 1.00 0.00 C ATOM 191 C TYR A 13 0.694 5.446 -7.851 1.00 0.00 C ATOM 192 O TYR A 13 -0.200 6.099 -8.353 1.00 0.00 O ATOM 193 CB TYR A 13 1.707 3.889 -9.544 1.00 0.00 C ATOM 194 CG TYR A 13 3.163 4.185 -9.274 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.859 3.446 -8.310 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.815 5.199 -9.985 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.207 3.719 -8.058 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.165 5.472 -9.733 1.00 0.00 C ATOM 199 CZ TYR A 13 5.862 4.732 -8.770 1.00 0.00 C ATOM 200 OH TYR A 13 7.192 5.001 -8.521 1.00 0.00 O ATOM 0 H TYR A 13 -0.649 3.271 -9.504 1.00 0.00 H new ATOM 0 HA TYR A 13 1.451 3.515 -7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.601 2.894 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.309 4.597 -10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.355 2.665 -7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.277 5.770 -10.727 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.743 3.149 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.669 6.254 -10.282 1.00 0.00 H new ATOM 0 HH TYR A 13 7.585 5.454 -9.296 1.00 0.00 H new ATOM 210 N SER A 14 1.501 5.965 -6.962 1.00 0.00 N ATOM 211 CA SER A 14 1.337 7.388 -6.541 1.00 0.00 C ATOM 212 C SER A 14 2.686 7.974 -6.115 1.00 0.00 C ATOM 213 O SER A 14 3.407 7.393 -5.328 1.00 0.00 O ATOM 214 CB SER A 14 0.377 7.352 -5.356 1.00 0.00 C ATOM 215 OG SER A 14 -0.618 6.362 -5.582 1.00 0.00 O ATOM 0 H SER A 14 2.266 5.465 -6.510 1.00 0.00 H new ATOM 0 HA SER A 14 0.958 8.011 -7.351 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.923 7.131 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.090 8.328 -5.222 1.00 0.00 H new ATOM 0 HG SER A 14 -1.449 6.626 -5.135 1.00 0.00 H new ATOM 221 N LYS A 15 3.030 9.116 -6.638 1.00 0.00 N ATOM 222 CA LYS A 15 4.332 9.749 -6.281 1.00 0.00 C ATOM 223 C LYS A 15 4.215 10.564 -4.992 1.00 0.00 C ATOM 224 O LYS A 15 3.674 11.652 -4.977 1.00 0.00 O ATOM 225 CB LYS A 15 4.667 10.655 -7.471 1.00 0.00 C ATOM 226 CG LYS A 15 5.842 10.067 -8.264 1.00 0.00 C ATOM 227 CD LYS A 15 5.611 8.570 -8.518 1.00 0.00 C ATOM 228 CE LYS A 15 6.550 7.748 -7.626 1.00 0.00 C ATOM 229 NZ LYS A 15 5.669 6.799 -6.881 1.00 0.00 N ATOM 0 H LYS A 15 2.463 9.643 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 15 5.108 9.006 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.796 10.757 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.920 11.655 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.950 10.592 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.771 10.211 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.573 8.311 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.792 8.336 -9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.288 7.212 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.102 8.391 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.219 6.327 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.880 7.323 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.294 6.085 -7.538 1.00 0.00 H new ATOM 243 N HIS A 16 4.732 10.038 -3.912 1.00 0.00 N ATOM 244 CA HIS A 16 4.682 10.759 -2.608 1.00 0.00 C ATOM 245 C HIS A 16 3.240 11.096 -2.235 1.00 0.00 C ATOM 246 O HIS A 16 2.911 12.229 -1.944 1.00 0.00 O ATOM 247 CB HIS A 16 5.501 12.037 -2.811 1.00 0.00 C ATOM 248 CG HIS A 16 6.968 11.707 -2.752 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.932 12.673 -2.510 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.649 10.526 -2.902 1.00 0.00 C ATOM 251 CE1 HIS A 16 9.130 12.060 -2.522 1.00 0.00 C ATOM 252 NE2 HIS A 16 9.015 10.750 -2.755 1.00 0.00 N ATOM 0 H HIS A 16 5.192 9.128 -3.879 1.00 0.00 H new ATOM 0 HA HIS A 16 5.082 10.151 -1.796 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.257 12.489 -3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.251 12.768 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.194 9.567 -3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 16 10.071 12.566 -2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.766 10.062 -2.813 1.00 0.00 H new ATOM 260 N MET A 17 2.378 10.116 -2.229 1.00 0.00 N ATOM 261 CA MET A 17 0.958 10.386 -1.860 1.00 0.00 C ATOM 262 C MET A 17 0.834 10.446 -0.333 1.00 0.00 C ATOM 263 O MET A 17 1.820 10.567 0.369 1.00 0.00 O ATOM 264 CB MET A 17 0.151 9.220 -2.449 1.00 0.00 C ATOM 265 CG MET A 17 0.269 7.976 -1.560 1.00 0.00 C ATOM 266 SD MET A 17 -0.615 6.600 -2.336 1.00 0.00 S ATOM 267 CE MET A 17 0.108 5.275 -1.339 1.00 0.00 C ATOM 0 H MET A 17 2.593 9.146 -2.462 1.00 0.00 H new ATOM 0 HA MET A 17 0.593 11.338 -2.246 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.896 9.507 -2.544 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.511 8.992 -3.452 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.318 7.715 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.146 8.180 -0.573 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.639 4.500 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.961 4.847 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.438 5.679 -0.382 1.00 0.00 H new ATOM 277 N THR A 18 -0.359 10.373 0.189 1.00 0.00 N ATOM 278 CA THR A 18 -0.519 10.437 1.671 1.00 0.00 C ATOM 279 C THR A 18 -1.228 9.185 2.195 1.00 0.00 C ATOM 280 O THR A 18 -2.285 8.814 1.724 1.00 0.00 O ATOM 281 CB THR A 18 -1.372 11.680 1.928 1.00 0.00 C ATOM 282 OG1 THR A 18 -1.005 12.704 1.013 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.146 12.168 3.360 1.00 0.00 C ATOM 0 H THR A 18 -1.225 10.273 -0.341 1.00 0.00 H new ATOM 0 HA THR A 18 0.444 10.487 2.180 1.00 0.00 H new ATOM 0 HB THR A 18 -2.425 11.432 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.553 13.500 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.754 13.054 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.429 11.383 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.094 12.416 3.498 1.00 0.00 H new ATOM 291 N ARG A 19 -0.651 8.539 3.176 1.00 0.00 N ATOM 292 CA ARG A 19 -1.276 7.311 3.758 1.00 0.00 C ATOM 293 C ARG A 19 -2.759 7.555 4.051 1.00 0.00 C ATOM 294 O ARG A 19 -3.602 6.700 3.851 1.00 0.00 O ATOM 295 CB ARG A 19 -0.517 7.076 5.070 1.00 0.00 C ATOM 296 CG ARG A 19 -0.841 8.201 6.069 1.00 0.00 C ATOM 297 CD ARG A 19 0.102 8.106 7.270 1.00 0.00 C ATOM 298 NE ARG A 19 -0.756 8.392 8.454 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.698 7.618 9.503 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.446 7.398 10.090 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.786 7.064 9.965 1.00 0.00 N ATOM 0 H ARG A 19 0.234 8.812 3.603 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.219 6.459 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.794 6.111 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.556 7.044 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.735 9.172 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.877 8.121 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.555 7.117 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.917 8.825 7.190 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.388 9.192 8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.296 7.831 9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.490 6.793 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.680 7.236 9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.742 6.459 10.785 1.00 0.00 H new ATOM 315 N SER A 20 -3.065 8.722 4.533 1.00 0.00 N ATOM 316 CA SER A 20 -4.469 9.060 4.868 1.00 0.00 C ATOM 317 C SER A 20 -5.273 9.229 3.580 1.00 0.00 C ATOM 318 O SER A 20 -6.403 8.792 3.483 1.00 0.00 O ATOM 319 CB SER A 20 -4.355 10.362 5.659 1.00 0.00 C ATOM 320 OG SER A 20 -5.270 11.325 5.149 1.00 0.00 O ATOM 0 H SER A 20 -2.391 9.467 4.711 1.00 0.00 H new ATOM 0 HA SER A 20 -4.986 8.293 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.561 10.176 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.337 10.747 5.596 1.00 0.00 H new ATOM 0 HG SER A 20 -5.191 12.156 5.663 1.00 0.00 H new ATOM 326 N GLN A 21 -4.688 9.832 2.579 1.00 0.00 N ATOM 327 CA GLN A 21 -5.412 9.992 1.290 1.00 0.00 C ATOM 328 C GLN A 21 -5.714 8.612 0.724 1.00 0.00 C ATOM 329 O GLN A 21 -6.793 8.357 0.229 1.00 0.00 O ATOM 330 CB GLN A 21 -4.459 10.763 0.381 1.00 0.00 C ATOM 331 CG GLN A 21 -4.472 12.239 0.777 1.00 0.00 C ATOM 332 CD GLN A 21 -5.720 12.912 0.201 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.988 12.811 -0.979 1.00 0.00 O ATOM 334 NE2 GLN A 21 -6.498 13.599 0.992 1.00 0.00 N ATOM 0 H GLN A 21 -3.744 10.218 2.600 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.360 10.521 1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.450 10.360 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.760 10.651 -0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.463 12.335 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.575 12.734 0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.272 13.683 1.983 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.332 14.052 0.619 1.00 0.00 H new ATOM 343 N ALA A 22 -4.774 7.708 0.816 1.00 0.00 N ATOM 344 CA ALA A 22 -5.016 6.333 0.306 1.00 0.00 C ATOM 345 C ALA A 22 -6.170 5.709 1.081 1.00 0.00 C ATOM 346 O ALA A 22 -7.071 5.139 0.506 1.00 0.00 O ATOM 347 CB ALA A 22 -3.714 5.567 0.559 1.00 0.00 C ATOM 0 H ALA A 22 -3.852 7.865 1.222 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.282 6.317 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.821 4.541 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.897 6.051 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.496 5.562 1.627 1.00 0.00 H new ATOM 353 N GLU A 23 -6.156 5.826 2.380 1.00 0.00 N ATOM 354 CA GLU A 23 -7.266 5.249 3.195 1.00 0.00 C ATOM 355 C GLU A 23 -8.608 5.836 2.758 1.00 0.00 C ATOM 356 O GLU A 23 -9.550 5.113 2.496 1.00 0.00 O ATOM 357 CB GLU A 23 -6.961 5.651 4.640 1.00 0.00 C ATOM 358 CG GLU A 23 -5.756 4.863 5.159 1.00 0.00 C ATOM 359 CD GLU A 23 -6.037 4.369 6.580 1.00 0.00 C ATOM 360 OE1 GLU A 23 -7.160 3.964 6.834 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.125 4.404 7.389 1.00 0.00 O ATOM 0 H GLU A 23 -5.425 6.296 2.914 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.334 4.167 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.757 6.720 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.830 5.460 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.553 4.017 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.867 5.493 5.152 1.00 0.00 H new ATOM 368 N GLN A 24 -8.713 7.138 2.687 1.00 0.00 N ATOM 369 CA GLN A 24 -10.010 7.742 2.280 1.00 0.00 C ATOM 370 C GLN A 24 -10.341 7.392 0.832 1.00 0.00 C ATOM 371 O GLN A 24 -11.444 6.975 0.542 1.00 0.00 O ATOM 372 CB GLN A 24 -9.868 9.257 2.474 1.00 0.00 C ATOM 373 CG GLN A 24 -8.744 9.814 1.599 1.00 0.00 C ATOM 374 CD GLN A 24 -8.605 11.316 1.855 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.987 12.123 1.031 1.00 0.00 O ATOM 376 NE2 GLN A 24 -8.071 11.729 2.972 1.00 0.00 N ATOM 0 H GLN A 24 -7.964 7.800 2.891 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.831 7.355 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.808 9.750 2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.662 9.476 3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.806 9.306 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.961 9.631 0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.750 11.052 3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.975 12.728 3.152 1.00 0.00 H new ATOM 385 N LEU A 25 -9.418 7.534 -0.089 1.00 0.00 N ATOM 386 CA LEU A 25 -9.766 7.176 -1.491 1.00 0.00 C ATOM 387 C LEU A 25 -9.945 5.664 -1.592 1.00 0.00 C ATOM 388 O LEU A 25 -10.702 5.177 -2.411 1.00 0.00 O ATOM 389 CB LEU A 25 -8.629 7.685 -2.380 1.00 0.00 C ATOM 390 CG LEU A 25 -7.322 6.973 -2.043 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.220 5.685 -2.864 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.146 7.896 -2.383 1.00 0.00 C ATOM 0 H LEU A 25 -8.468 7.872 0.065 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.703 7.631 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.879 7.521 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.509 8.760 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.297 6.727 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.287 5.174 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.061 5.034 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.239 5.928 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.208 7.394 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.168 8.137 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.224 8.814 -1.801 1.00 0.00 H new ATOM 404 N LEU A 26 -9.301 4.911 -0.735 1.00 0.00 N ATOM 405 CA LEU A 26 -9.500 3.438 -0.768 1.00 0.00 C ATOM 406 C LEU A 26 -10.926 3.166 -0.296 1.00 0.00 C ATOM 407 O LEU A 26 -11.743 2.634 -1.020 1.00 0.00 O ATOM 408 CB LEU A 26 -8.485 2.850 0.215 1.00 0.00 C ATOM 409 CG LEU A 26 -7.223 2.402 -0.536 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.146 1.981 0.470 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.555 1.209 -1.439 1.00 0.00 C ATOM 0 H LEU A 26 -8.654 5.252 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.361 3.003 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.225 3.593 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.925 2.003 0.741 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.857 3.231 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.252 1.664 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.902 2.824 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.518 1.155 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.657 0.894 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.925 0.384 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.320 1.500 -2.159 1.00 0.00 H new ATOM 423 N LYS A 27 -11.239 3.570 0.912 1.00 0.00 N ATOM 424 CA LYS A 27 -12.626 3.378 1.428 1.00 0.00 C ATOM 425 C LYS A 27 -13.627 4.031 0.468 1.00 0.00 C ATOM 426 O LYS A 27 -14.679 3.491 0.187 1.00 0.00 O ATOM 427 CB LYS A 27 -12.645 4.094 2.780 1.00 0.00 C ATOM 428 CG LYS A 27 -13.369 3.228 3.814 1.00 0.00 C ATOM 429 CD LYS A 27 -13.873 4.114 4.954 1.00 0.00 C ATOM 430 CE LYS A 27 -14.232 3.242 6.161 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.653 2.854 5.945 1.00 0.00 N ATOM 0 H LYS A 27 -10.594 4.023 1.559 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.898 2.326 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.626 4.295 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.145 5.058 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.205 2.707 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.694 2.465 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.107 4.839 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.746 4.681 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.588 2.365 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.110 3.791 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.008 2.355 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.225 3.707 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.720 2.228 5.117 1.00 0.00 H new ATOM 445 N GLN A 28 -13.301 5.195 -0.032 1.00 0.00 N ATOM 446 CA GLN A 28 -14.227 5.899 -0.972 1.00 0.00 C ATOM 447 C GLN A 28 -14.501 5.044 -2.218 1.00 0.00 C ATOM 448 O GLN A 28 -15.634 4.909 -2.637 1.00 0.00 O ATOM 449 CB GLN A 28 -13.508 7.194 -1.355 1.00 0.00 C ATOM 450 CG GLN A 28 -14.472 8.110 -2.112 1.00 0.00 C ATOM 451 CD GLN A 28 -13.925 9.539 -2.114 1.00 0.00 C ATOM 452 OE1 GLN A 28 -13.703 10.115 -3.162 1.00 0.00 O ATOM 453 NE2 GLN A 28 -13.697 10.140 -0.979 1.00 0.00 N ATOM 0 H GLN A 28 -12.432 5.690 0.170 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.196 6.092 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.140 7.696 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.640 6.970 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.598 7.756 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.456 8.087 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.883 9.657 -0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.333 11.093 -0.971 1.00 0.00 H new ATOM 462 N GLU A 29 -13.488 4.456 -2.812 1.00 0.00 N ATOM 463 CA GLU A 29 -13.736 3.610 -4.022 1.00 0.00 C ATOM 464 C GLU A 29 -14.652 2.450 -3.626 1.00 0.00 C ATOM 465 O GLU A 29 -15.610 2.143 -4.308 1.00 0.00 O ATOM 466 CB GLU A 29 -12.354 3.123 -4.492 1.00 0.00 C ATOM 467 CG GLU A 29 -12.282 3.125 -6.026 1.00 0.00 C ATOM 468 CD GLU A 29 -13.587 2.598 -6.630 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.097 1.618 -6.123 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.050 3.188 -7.593 1.00 0.00 O ATOM 0 H GLU A 29 -12.514 4.524 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.229 4.150 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.575 3.767 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.167 2.118 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.092 4.137 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.447 2.507 -6.357 1.00 0.00 H new ATOM 477 N GLY A 30 -14.398 1.837 -2.499 1.00 0.00 N ATOM 478 CA GLY A 30 -15.287 0.741 -2.035 1.00 0.00 C ATOM 479 C GLY A 30 -14.845 -0.619 -2.591 1.00 0.00 C ATOM 480 O GLY A 30 -15.611 -1.562 -2.607 1.00 0.00 O ATOM 0 H GLY A 30 -13.613 2.051 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.285 0.707 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.311 0.946 -2.346 1.00 0.00 H new ATOM 484 N LYS A 31 -13.627 -0.735 -3.043 1.00 0.00 N ATOM 485 CA LYS A 31 -13.156 -2.046 -3.591 1.00 0.00 C ATOM 486 C LYS A 31 -12.619 -2.942 -2.473 1.00 0.00 C ATOM 487 O LYS A 31 -11.780 -2.536 -1.698 1.00 0.00 O ATOM 488 CB LYS A 31 -12.022 -1.689 -4.553 1.00 0.00 C ATOM 489 CG LYS A 31 -12.504 -0.648 -5.573 1.00 0.00 C ATOM 490 CD LYS A 31 -13.862 -1.059 -6.157 1.00 0.00 C ATOM 491 CE LYS A 31 -13.773 -2.472 -6.743 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.567 -2.418 -8.002 1.00 0.00 N ATOM 0 H LYS A 31 -12.937 0.016 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.965 -2.591 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.172 -1.297 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.678 -2.585 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.587 0.328 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.772 -0.549 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.626 -1.026 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.163 -0.353 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.739 -2.753 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.178 -3.212 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.624 -3.370 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.526 -2.073 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.106 -1.773 -8.676 1.00 0.00 H new ATOM 506 N GLU A 32 -13.070 -4.167 -2.393 1.00 0.00 N ATOM 507 CA GLU A 32 -12.540 -5.066 -1.325 1.00 0.00 C ATOM 508 C GLU A 32 -11.176 -5.599 -1.745 1.00 0.00 C ATOM 509 O GLU A 32 -11.066 -6.610 -2.411 1.00 0.00 O ATOM 510 CB GLU A 32 -13.535 -6.212 -1.159 1.00 0.00 C ATOM 511 CG GLU A 32 -13.839 -6.855 -2.516 1.00 0.00 C ATOM 512 CD GLU A 32 -15.252 -6.472 -2.962 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.192 -7.070 -2.465 1.00 0.00 O ATOM 514 OE2 GLU A 32 -15.369 -5.586 -3.793 1.00 0.00 O ATOM 0 H GLU A 32 -13.771 -4.579 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.421 -4.533 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.128 -6.960 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.456 -5.840 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.111 -6.525 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.751 -7.939 -2.444 1.00 0.00 H new ATOM 521 N GLY A 33 -10.136 -4.916 -1.367 1.00 0.00 N ATOM 522 CA GLY A 33 -8.776 -5.357 -1.742 1.00 0.00 C ATOM 523 C GLY A 33 -8.102 -4.276 -2.591 1.00 0.00 C ATOM 524 O GLY A 33 -7.241 -4.561 -3.396 1.00 0.00 O ATOM 0 H GLY A 33 -10.174 -4.063 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.186 -5.551 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.827 -6.292 -2.299 1.00 0.00 H new ATOM 528 N GLY A 34 -8.478 -3.032 -2.416 1.00 0.00 N ATOM 529 CA GLY A 34 -7.837 -1.949 -3.211 1.00 0.00 C ATOM 530 C GLY A 34 -6.336 -1.978 -2.942 1.00 0.00 C ATOM 531 O GLY A 34 -5.899 -2.477 -1.924 1.00 0.00 O ATOM 0 H GLY A 34 -9.197 -2.725 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.035 -2.091 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.253 -0.980 -2.936 1.00 0.00 H new ATOM 535 N PHE A 35 -5.543 -1.480 -3.848 1.00 0.00 N ATOM 536 CA PHE A 35 -4.072 -1.516 -3.633 1.00 0.00 C ATOM 537 C PHE A 35 -3.391 -0.298 -4.270 1.00 0.00 C ATOM 538 O PHE A 35 -3.572 -0.007 -5.436 1.00 0.00 O ATOM 539 CB PHE A 35 -3.646 -2.823 -4.311 1.00 0.00 C ATOM 540 CG PHE A 35 -2.149 -2.849 -4.528 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.587 -2.144 -5.600 1.00 0.00 C ATOM 542 CD2 PHE A 35 -1.327 -3.583 -3.666 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.203 -2.173 -5.809 1.00 0.00 C ATOM 544 CE2 PHE A 35 0.058 -3.612 -3.875 1.00 0.00 C ATOM 545 CZ PHE A 35 0.619 -2.907 -4.946 1.00 0.00 C ATOM 0 H PHE A 35 -5.848 -1.052 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.791 -1.480 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.944 -3.672 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.159 -2.927 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.222 -1.578 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.760 -4.127 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.230 -1.629 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.693 -4.178 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.687 -2.929 -5.107 1.00 0.00 H new ATOM 555 N ILE A 36 -2.592 0.402 -3.507 1.00 0.00 N ATOM 556 CA ILE A 36 -1.870 1.590 -4.049 1.00 0.00 C ATOM 557 C ILE A 36 -0.421 1.565 -3.553 1.00 0.00 C ATOM 558 O ILE A 36 -0.105 0.892 -2.593 1.00 0.00 O ATOM 559 CB ILE A 36 -2.611 2.803 -3.484 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.043 2.819 -4.020 1.00 0.00 C ATOM 561 CG2 ILE A 36 -1.897 4.089 -3.907 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.813 3.975 -3.383 1.00 0.00 C ATOM 0 H ILE A 36 -2.408 0.199 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.847 1.610 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.627 2.740 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.035 2.927 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.536 1.873 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.428 4.950 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.876 4.081 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.877 4.153 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.834 3.987 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.832 3.847 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.323 4.917 -3.628 1.00 0.00 H new ATOM 574 N VAL A 37 0.463 2.284 -4.193 1.00 0.00 N ATOM 575 CA VAL A 37 1.884 2.276 -3.732 1.00 0.00 C ATOM 576 C VAL A 37 2.518 3.661 -3.879 1.00 0.00 C ATOM 577 O VAL A 37 2.192 4.414 -4.777 1.00 0.00 O ATOM 578 CB VAL A 37 2.600 1.270 -4.634 1.00 0.00 C ATOM 579 CG1 VAL A 37 4.047 1.112 -4.163 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.891 -0.086 -4.558 1.00 0.00 C ATOM 0 H VAL A 37 0.267 2.870 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 37 1.957 2.008 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 37 2.584 1.629 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.562 0.396 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.554 2.075 -4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.058 0.752 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.403 -0.801 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.906 -0.447 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.858 0.024 -4.888 1.00 0.00 H new ATOM 590 N ARG A 38 3.433 3.995 -3.007 1.00 0.00 N ATOM 591 CA ARG A 38 4.104 5.326 -3.097 1.00 0.00 C ATOM 592 C ARG A 38 5.547 5.227 -2.584 1.00 0.00 C ATOM 593 O ARG A 38 5.871 4.378 -1.778 1.00 0.00 O ATOM 594 CB ARG A 38 3.273 6.265 -2.216 1.00 0.00 C ATOM 595 CG ARG A 38 3.233 5.739 -0.778 1.00 0.00 C ATOM 596 CD ARG A 38 4.319 6.429 0.051 1.00 0.00 C ATOM 597 NE ARG A 38 3.741 7.752 0.416 1.00 0.00 N ATOM 598 CZ ARG A 38 4.207 8.408 1.445 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.493 8.455 1.662 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.386 9.017 2.256 1.00 0.00 N ATOM 0 H ARG A 38 3.745 3.404 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 38 4.158 5.689 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.702 7.267 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.260 6.345 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.253 5.925 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.386 4.660 -0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.567 5.848 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.239 6.544 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 38 2.981 8.146 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.135 7.979 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.856 8.967 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.381 8.981 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.749 9.529 3.060 1.00 0.00 H new ATOM 614 N ASP A 39 6.413 6.086 -3.055 1.00 0.00 N ATOM 615 CA ASP A 39 7.839 6.041 -2.607 1.00 0.00 C ATOM 616 C ASP A 39 7.986 6.627 -1.198 1.00 0.00 C ATOM 617 O ASP A 39 7.211 7.463 -0.777 1.00 0.00 O ATOM 618 CB ASP A 39 8.600 6.895 -3.621 1.00 0.00 C ATOM 619 CG ASP A 39 10.104 6.773 -3.367 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.561 5.662 -3.159 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.773 7.793 -3.384 1.00 0.00 O ATOM 0 H ASP A 39 6.195 6.818 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 39 8.217 5.020 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.364 6.571 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.290 7.937 -3.540 1.00 0.00 H new ATOM 626 N SER A 40 8.983 6.193 -0.469 1.00 0.00 N ATOM 627 CA SER A 40 9.191 6.719 0.914 1.00 0.00 C ATOM 628 C SER A 40 10.307 7.774 0.917 1.00 0.00 C ATOM 629 O SER A 40 10.456 8.528 -0.025 1.00 0.00 O ATOM 630 CB SER A 40 9.593 5.497 1.740 1.00 0.00 C ATOM 631 OG SER A 40 9.251 5.717 3.101 1.00 0.00 O ATOM 0 H SER A 40 9.663 5.496 -0.773 1.00 0.00 H new ATOM 0 HA SER A 40 8.301 7.205 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.086 4.608 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.664 5.317 1.647 1.00 0.00 H new ATOM 0 HG SER A 40 9.770 5.112 3.671 1.00 0.00 H new ATOM 637 N SER A 41 11.091 7.839 1.966 1.00 0.00 N ATOM 638 CA SER A 41 12.187 8.850 2.017 1.00 0.00 C ATOM 639 C SER A 41 13.352 8.336 2.868 1.00 0.00 C ATOM 640 O SER A 41 14.498 8.397 2.469 1.00 0.00 O ATOM 641 CB SER A 41 11.558 10.085 2.661 1.00 0.00 C ATOM 642 OG SER A 41 12.575 11.036 2.945 1.00 0.00 O ATOM 0 H SER A 41 11.018 7.236 2.786 1.00 0.00 H new ATOM 0 HA SER A 41 12.591 9.065 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.815 10.519 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.038 9.806 3.578 1.00 0.00 H new ATOM 0 HG SER A 41 12.175 11.830 3.357 1.00 0.00 H new ATOM 648 N LYS A 42 13.069 7.831 4.041 1.00 0.00 N ATOM 649 CA LYS A 42 14.163 7.315 4.919 1.00 0.00 C ATOM 650 C LYS A 42 14.946 6.216 4.196 1.00 0.00 C ATOM 651 O LYS A 42 16.102 6.383 3.858 1.00 0.00 O ATOM 652 CB LYS A 42 13.455 6.744 6.148 1.00 0.00 C ATOM 653 CG LYS A 42 12.702 7.862 6.872 1.00 0.00 C ATOM 654 CD LYS A 42 12.368 7.414 8.296 1.00 0.00 C ATOM 655 CE LYS A 42 13.493 7.840 9.244 1.00 0.00 C ATOM 656 NZ LYS A 42 12.799 8.431 10.423 1.00 0.00 N ATOM 0 H LYS A 42 12.129 7.753 4.429 1.00 0.00 H new ATOM 0 HA LYS A 42 14.877 8.094 5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.761 5.959 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.182 6.287 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.309 8.767 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.787 8.107 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.423 7.855 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.242 6.332 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.109 6.989 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.155 8.565 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.505 8.747 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.226 9.243 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.181 7.716 10.857 1.00 0.00 H new ATOM 670 N ALA A 43 14.321 5.097 3.954 1.00 0.00 N ATOM 671 CA ALA A 43 15.019 3.982 3.246 1.00 0.00 C ATOM 672 C ALA A 43 14.847 4.126 1.738 1.00 0.00 C ATOM 673 O ALA A 43 15.490 3.447 0.962 1.00 0.00 O ATOM 674 CB ALA A 43 14.314 2.708 3.717 1.00 0.00 C ATOM 0 H ALA A 43 13.354 4.904 4.216 1.00 0.00 H new ATOM 0 HA ALA A 43 16.088 3.973 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.771 1.841 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.409 2.618 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.259 2.756 3.448 1.00 0.00 H new ATOM 680 N GLY A 44 13.952 4.973 1.316 1.00 0.00 N ATOM 681 CA GLY A 44 13.703 5.119 -0.140 1.00 0.00 C ATOM 682 C GLY A 44 12.904 3.897 -0.585 1.00 0.00 C ATOM 683 O GLY A 44 12.958 3.479 -1.725 1.00 0.00 O ATOM 0 H GLY A 44 13.383 5.569 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.151 6.036 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.644 5.184 -0.687 1.00 0.00 H new ATOM 687 N LYS A 45 12.169 3.317 0.331 1.00 0.00 N ATOM 688 CA LYS A 45 11.365 2.112 0.004 1.00 0.00 C ATOM 689 C LYS A 45 9.972 2.527 -0.478 1.00 0.00 C ATOM 690 O LYS A 45 9.667 3.699 -0.570 1.00 0.00 O ATOM 691 CB LYS A 45 11.271 1.337 1.321 1.00 0.00 C ATOM 692 CG LYS A 45 10.463 2.144 2.348 1.00 0.00 C ATOM 693 CD LYS A 45 11.336 2.452 3.566 1.00 0.00 C ATOM 694 CE LYS A 45 10.444 2.716 4.781 1.00 0.00 C ATOM 695 NZ LYS A 45 10.454 1.440 5.549 1.00 0.00 N ATOM 0 H LYS A 45 12.095 3.634 1.298 1.00 0.00 H new ATOM 0 HA LYS A 45 11.811 1.514 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.797 0.371 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.270 1.138 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.109 3.072 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.581 1.581 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.005 1.615 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.963 3.321 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.828 3.541 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.433 2.986 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.589 1.373 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.495 0.638 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.285 1.417 6.173 1.00 0.00 H new ATOM 709 N TYR A 46 9.121 1.580 -0.771 1.00 0.00 N ATOM 710 CA TYR A 46 7.746 1.937 -1.232 1.00 0.00 C ATOM 711 C TYR A 46 6.715 1.502 -0.183 1.00 0.00 C ATOM 712 O TYR A 46 6.986 0.668 0.662 1.00 0.00 O ATOM 713 CB TYR A 46 7.527 1.166 -2.543 1.00 0.00 C ATOM 714 CG TYR A 46 8.675 1.393 -3.512 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.468 2.544 -3.427 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.940 0.439 -4.505 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.522 2.741 -4.329 1.00 0.00 C ATOM 718 CE2 TYR A 46 9.994 0.636 -5.406 1.00 0.00 C ATOM 719 CZ TYR A 46 10.784 1.787 -5.318 1.00 0.00 C ATOM 720 OH TYR A 46 11.823 1.981 -6.205 1.00 0.00 O ATOM 0 H TYR A 46 9.316 0.581 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 46 7.635 3.011 -1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.432 0.101 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.591 1.484 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.267 3.282 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.330 -0.450 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.132 3.629 -4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.197 -0.101 -6.169 1.00 0.00 H new ATOM 0 HH TYR A 46 11.869 1.224 -6.826 1.00 0.00 H new ATOM 730 N THR A 47 5.531 2.052 -0.241 1.00 0.00 N ATOM 731 CA THR A 47 4.470 1.664 0.738 1.00 0.00 C ATOM 732 C THR A 47 3.235 1.193 -0.024 1.00 0.00 C ATOM 733 O THR A 47 2.787 1.845 -0.945 1.00 0.00 O ATOM 734 CB THR A 47 4.161 2.936 1.536 1.00 0.00 C ATOM 735 OG1 THR A 47 5.325 3.345 2.239 1.00 0.00 O ATOM 736 CG2 THR A 47 3.030 2.658 2.535 1.00 0.00 C ATOM 0 H THR A 47 5.251 2.755 -0.925 1.00 0.00 H new ATOM 0 HA THR A 47 4.783 0.853 1.396 1.00 0.00 H new ATOM 0 HB THR A 47 3.850 3.726 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.130 4.159 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.813 3.564 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.137 2.345 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.336 1.867 3.220 1.00 0.00 H new ATOM 744 N VAL A 48 2.689 0.064 0.344 1.00 0.00 N ATOM 745 CA VAL A 48 1.489 -0.450 -0.377 1.00 0.00 C ATOM 746 C VAL A 48 0.212 -0.145 0.412 1.00 0.00 C ATOM 747 O VAL A 48 -0.067 -0.760 1.423 1.00 0.00 O ATOM 748 CB VAL A 48 1.713 -1.959 -0.488 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.459 -2.631 -1.052 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.896 -2.228 -1.421 1.00 0.00 C ATOM 0 H VAL A 48 3.021 -0.522 1.110 1.00 0.00 H new ATOM 0 HA VAL A 48 1.365 0.017 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 48 1.924 -2.365 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.625 -3.706 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.385 -2.441 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.243 -2.226 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.058 -3.303 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.682 -1.818 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.792 -1.755 -1.018 1.00 0.00 H new ATOM 760 N SER A 49 -0.570 0.790 -0.055 1.00 0.00 N ATOM 761 CA SER A 49 -1.839 1.134 0.647 1.00 0.00 C ATOM 762 C SER A 49 -2.981 0.287 0.083 1.00 0.00 C ATOM 763 O SER A 49 -3.456 0.529 -1.010 1.00 0.00 O ATOM 764 CB SER A 49 -2.067 2.612 0.339 1.00 0.00 C ATOM 765 OG SER A 49 -1.294 3.405 1.229 1.00 0.00 O ATOM 0 H SER A 49 -0.383 1.333 -0.898 1.00 0.00 H new ATOM 0 HA SER A 49 -1.793 0.945 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.788 2.827 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.124 2.857 0.441 1.00 0.00 H new ATOM 0 HG SER A 49 -0.517 2.892 1.534 1.00 0.00 H new ATOM 771 N VAL A 50 -3.421 -0.711 0.805 1.00 0.00 N ATOM 772 CA VAL A 50 -4.525 -1.568 0.277 1.00 0.00 C ATOM 773 C VAL A 50 -5.716 -1.588 1.244 1.00 0.00 C ATOM 774 O VAL A 50 -5.547 -1.606 2.448 1.00 0.00 O ATOM 775 CB VAL A 50 -3.918 -2.968 0.155 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.787 -2.949 -0.874 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.361 -3.413 1.511 1.00 0.00 C ATOM 0 H VAL A 50 -3.069 -0.968 1.727 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.903 -1.195 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.692 -3.665 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.356 -3.947 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.181 -2.640 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.017 -2.247 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.930 -4.410 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.590 -2.714 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.166 -3.432 2.246 1.00 0.00 H new ATOM 787 N PHE A 51 -6.923 -1.581 0.730 1.00 0.00 N ATOM 788 CA PHE A 51 -8.111 -1.599 1.638 1.00 0.00 C ATOM 789 C PHE A 51 -9.206 -2.540 1.107 1.00 0.00 C ATOM 790 O PHE A 51 -9.097 -3.094 0.035 1.00 0.00 O ATOM 791 CB PHE A 51 -8.610 -0.146 1.649 1.00 0.00 C ATOM 792 CG PHE A 51 -10.017 -0.078 1.092 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.222 -0.152 -0.288 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.113 0.040 1.956 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.517 -0.108 -0.806 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.411 0.084 1.435 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.611 0.009 0.054 1.00 0.00 C ATOM 0 H PHE A 51 -7.135 -1.564 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.856 -1.963 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.593 0.245 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.944 0.480 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.377 -0.243 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.957 0.097 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.673 -0.164 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.257 0.176 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.613 0.042 -0.349 1.00 0.00 H new ATOM 807 N ALA A 52 -10.279 -2.684 1.850 1.00 0.00 N ATOM 808 CA ALA A 52 -11.410 -3.544 1.386 1.00 0.00 C ATOM 809 C ALA A 52 -12.680 -3.250 2.193 1.00 0.00 C ATOM 810 O ALA A 52 -12.731 -2.327 2.977 1.00 0.00 O ATOM 811 CB ALA A 52 -10.970 -4.991 1.603 1.00 0.00 C ATOM 0 H ALA A 52 -10.418 -2.242 2.758 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.642 -3.351 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.763 -5.665 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.068 -5.188 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.765 -5.154 2.661 1.00 0.00 H new ATOM 817 N LYS A 53 -13.710 -4.027 1.986 1.00 0.00 N ATOM 818 CA LYS A 53 -14.991 -3.803 2.717 1.00 0.00 C ATOM 819 C LYS A 53 -15.456 -5.097 3.402 1.00 0.00 C ATOM 820 O LYS A 53 -16.637 -5.379 3.458 1.00 0.00 O ATOM 821 CB LYS A 53 -15.975 -3.417 1.618 1.00 0.00 C ATOM 822 CG LYS A 53 -15.810 -1.937 1.276 1.00 0.00 C ATOM 823 CD LYS A 53 -16.464 -1.093 2.369 1.00 0.00 C ATOM 824 CE LYS A 53 -17.880 -0.702 1.943 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.698 0.438 1.002 1.00 0.00 N ATOM 0 H LYS A 53 -13.718 -4.813 1.337 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.900 -3.048 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.802 -4.027 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.996 -3.613 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.753 -1.687 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.268 -1.721 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.497 -1.653 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.870 -0.198 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.391 -1.535 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.485 -0.412 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.158 1.286 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.683 0.623 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.126 0.202 0.084 1.00 0.00 H new ATOM 839 N SER A 54 -14.550 -5.890 3.918 1.00 0.00 N ATOM 840 CA SER A 54 -14.974 -7.163 4.585 1.00 0.00 C ATOM 841 C SER A 54 -13.888 -7.684 5.535 1.00 0.00 C ATOM 842 O SER A 54 -13.215 -8.655 5.251 1.00 0.00 O ATOM 843 CB SER A 54 -15.198 -8.149 3.439 1.00 0.00 C ATOM 844 OG SER A 54 -14.082 -8.111 2.561 1.00 0.00 O ATOM 0 H SER A 54 -13.545 -5.715 3.908 1.00 0.00 H new ATOM 0 HA SER A 54 -15.867 -7.020 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.332 -9.157 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.109 -7.894 2.898 1.00 0.00 H new ATOM 0 HG SER A 54 -13.264 -8.309 3.063 1.00 0.00 H new ATOM 850 N THR A 55 -13.726 -7.054 6.670 1.00 0.00 N ATOM 851 CA THR A 55 -12.698 -7.510 7.660 1.00 0.00 C ATOM 852 C THR A 55 -12.942 -6.787 8.988 1.00 0.00 C ATOM 853 O THR A 55 -14.075 -6.546 9.356 1.00 0.00 O ATOM 854 CB THR A 55 -11.335 -7.128 7.073 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.418 -7.010 5.660 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.306 -8.200 7.434 1.00 0.00 C ATOM 0 H THR A 55 -14.265 -6.237 6.958 1.00 0.00 H new ATOM 0 HA THR A 55 -12.744 -8.583 7.845 1.00 0.00 H new ATOM 0 HB THR A 55 -11.031 -6.168 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.671 -7.875 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.336 -7.929 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.226 -8.277 8.518 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.622 -9.160 7.025 1.00 0.00 H new ATOM 864 N GLY A 56 -11.905 -6.415 9.706 1.00 0.00 N ATOM 865 CA GLY A 56 -12.119 -5.682 10.992 1.00 0.00 C ATOM 866 C GLY A 56 -13.090 -4.528 10.728 1.00 0.00 C ATOM 867 O GLY A 56 -13.880 -4.149 11.570 1.00 0.00 O ATOM 0 H GLY A 56 -10.931 -6.586 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.523 -6.353 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.172 -5.302 11.375 1.00 0.00 H new ATOM 871 N ASP A 57 -13.043 -3.995 9.536 1.00 0.00 N ATOM 872 CA ASP A 57 -13.960 -2.892 9.151 1.00 0.00 C ATOM 873 C ASP A 57 -14.828 -3.366 7.976 1.00 0.00 C ATOM 874 O ASP A 57 -14.520 -3.096 6.834 1.00 0.00 O ATOM 875 CB ASP A 57 -13.041 -1.760 8.707 1.00 0.00 C ATOM 876 CG ASP A 57 -13.640 -0.415 9.123 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.575 0.020 8.470 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.155 0.156 10.085 1.00 0.00 O ATOM 0 H ASP A 57 -12.395 -4.285 8.803 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.623 -2.580 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.054 -1.883 9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.907 -1.790 7.626 1.00 0.00 H new ATOM 883 N PRO A 58 -15.881 -4.076 8.287 1.00 0.00 N ATOM 884 CA PRO A 58 -16.782 -4.614 7.236 1.00 0.00 C ATOM 885 C PRO A 58 -17.212 -3.540 6.239 1.00 0.00 C ATOM 886 O PRO A 58 -17.622 -3.837 5.135 1.00 0.00 O ATOM 887 CB PRO A 58 -17.970 -5.119 8.053 1.00 0.00 C ATOM 888 CG PRO A 58 -17.682 -4.886 9.547 1.00 0.00 C ATOM 889 CD PRO A 58 -16.250 -4.363 9.692 1.00 0.00 C ATOM 0 HA PRO A 58 -16.310 -5.380 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.880 -4.596 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.136 -6.179 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.391 -4.169 9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.804 -5.814 10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.203 -3.471 10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.590 -5.103 10.144 1.00 0.00 H new ATOM 897 N GLN A 59 -17.136 -2.300 6.619 1.00 0.00 N ATOM 898 CA GLN A 59 -17.559 -1.217 5.686 1.00 0.00 C ATOM 899 C GLN A 59 -16.369 -0.363 5.241 1.00 0.00 C ATOM 900 O GLN A 59 -16.544 0.740 4.760 1.00 0.00 O ATOM 901 CB GLN A 59 -18.555 -0.372 6.479 1.00 0.00 C ATOM 902 CG GLN A 59 -17.952 -0.023 7.839 1.00 0.00 C ATOM 903 CD GLN A 59 -18.584 1.265 8.369 1.00 0.00 C ATOM 904 OE1 GLN A 59 -18.915 2.152 7.607 1.00 0.00 O ATOM 905 NE2 GLN A 59 -18.765 1.408 9.654 1.00 0.00 N ATOM 0 H GLN A 59 -16.801 -1.987 7.530 1.00 0.00 H new ATOM 0 HA GLN A 59 -17.995 -1.627 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.795 0.539 5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.488 -0.919 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.121 -0.838 8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.873 0.101 7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.487 0.664 10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.184 2.264 10.018 1.00 0.00 H new ATOM 914 N GLY A 60 -15.164 -0.855 5.372 1.00 0.00 N ATOM 915 CA GLY A 60 -14.003 -0.047 4.922 1.00 0.00 C ATOM 916 C GLY A 60 -12.728 -0.461 5.659 1.00 0.00 C ATOM 917 O GLY A 60 -12.403 0.072 6.701 1.00 0.00 O ATOM 0 H GLY A 60 -14.940 -1.769 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.863 -0.171 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.202 1.010 5.097 1.00 0.00 H new ATOM 921 N VAL A 61 -11.992 -1.395 5.115 1.00 0.00 N ATOM 922 CA VAL A 61 -10.725 -1.833 5.775 1.00 0.00 C ATOM 923 C VAL A 61 -9.532 -1.317 5.002 1.00 0.00 C ATOM 924 O VAL A 61 -9.552 -1.248 3.801 1.00 0.00 O ATOM 925 CB VAL A 61 -10.723 -3.356 5.728 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.570 -3.883 6.584 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.047 -3.893 6.252 1.00 0.00 C ATOM 0 H VAL A 61 -12.213 -1.874 4.242 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.665 -1.454 6.795 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.593 -3.689 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.563 -4.973 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.625 -3.504 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.699 -3.549 7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.038 -4.982 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.190 -3.566 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.862 -3.516 5.635 1.00 0.00 H new ATOM 937 N ILE A 62 -8.501 -0.939 5.694 1.00 0.00 N ATOM 938 CA ILE A 62 -7.294 -0.395 5.003 1.00 0.00 C ATOM 939 C ILE A 62 -6.007 -0.802 5.728 1.00 0.00 C ATOM 940 O ILE A 62 -6.027 -1.218 6.870 1.00 0.00 O ATOM 941 CB ILE A 62 -7.464 1.128 5.046 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.938 1.462 5.339 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.040 1.720 3.696 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.182 2.962 5.260 1.00 0.00 C ATOM 0 H ILE A 62 -8.436 -0.981 6.711 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.211 -0.779 3.986 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.840 1.555 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.580 0.947 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.207 1.098 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.159 2.803 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.996 1.474 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.664 1.304 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.231 3.172 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.556 3.472 5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.935 3.319 4.260 1.00 0.00 H new ATOM 956 N ARG A 63 -4.888 -0.673 5.063 1.00 0.00 N ATOM 957 CA ARG A 63 -3.581 -1.037 5.688 1.00 0.00 C ATOM 958 C ARG A 63 -2.439 -0.694 4.724 1.00 0.00 C ATOM 959 O ARG A 63 -2.403 -1.165 3.604 1.00 0.00 O ATOM 960 CB ARG A 63 -3.653 -2.550 5.921 1.00 0.00 C ATOM 961 CG ARG A 63 -3.278 -2.864 7.372 1.00 0.00 C ATOM 962 CD ARG A 63 -4.092 -4.065 7.861 1.00 0.00 C ATOM 963 NE ARG A 63 -4.220 -3.868 9.332 1.00 0.00 N ATOM 964 CZ ARG A 63 -5.239 -3.212 9.817 1.00 0.00 C ATOM 965 NH1 ARG A 63 -6.409 -3.787 9.893 1.00 0.00 N ATOM 966 NH2 ARG A 63 -5.088 -1.981 10.224 1.00 0.00 N ATOM 0 H ARG A 63 -4.823 -0.328 4.105 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.397 -0.497 6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.658 -2.914 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.976 -3.066 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.212 -3.080 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.472 -1.998 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.070 -4.101 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.588 -5.004 7.630 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.511 -4.246 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.526 -4.749 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.205 -3.275 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.174 -1.532 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.884 -1.468 10.603 1.00 0.00 H new ATOM 980 N HIS A 64 -1.510 0.129 5.142 1.00 0.00 N ATOM 981 CA HIS A 64 -0.383 0.497 4.231 1.00 0.00 C ATOM 982 C HIS A 64 0.843 -0.368 4.514 1.00 0.00 C ATOM 983 O HIS A 64 1.582 -0.126 5.449 1.00 0.00 O ATOM 984 CB HIS A 64 -0.053 1.968 4.516 1.00 0.00 C ATOM 985 CG HIS A 64 -1.319 2.754 4.733 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.021 3.327 3.684 1.00 0.00 N ATOM 987 CD2 HIS A 64 -2.018 3.070 5.871 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.090 3.952 4.207 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.136 3.827 5.536 1.00 0.00 N ATOM 0 H HIS A 64 -1.483 0.559 6.067 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.664 0.342 3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.584 2.041 5.397 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.507 2.391 3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.772 3.283 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.742 2.776 6.873 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.823 4.490 3.624 1.00 0.00 H new ATOM 997 N TYR A 65 1.076 -1.359 3.702 1.00 0.00 N ATOM 998 CA TYR A 65 2.270 -2.225 3.906 1.00 0.00 C ATOM 999 C TYR A 65 3.494 -1.526 3.331 1.00 0.00 C ATOM 1000 O TYR A 65 3.505 -1.128 2.188 1.00 0.00 O ATOM 1001 CB TYR A 65 1.990 -3.497 3.117 1.00 0.00 C ATOM 1002 CG TYR A 65 0.642 -4.073 3.504 1.00 0.00 C ATOM 1003 CD1 TYR A 65 0.222 -4.049 4.841 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.184 -4.638 2.524 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.018 -4.591 5.196 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.425 -5.177 2.881 1.00 0.00 C ATOM 1007 CZ TYR A 65 -1.842 -5.155 4.217 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.065 -5.688 4.567 1.00 0.00 O ATOM 0 H TYR A 65 0.491 -1.608 2.904 1.00 0.00 H new ATOM 0 HA TYR A 65 2.455 -2.435 4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.007 -3.281 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.774 -4.230 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.856 -3.612 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.137 -4.658 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.339 -4.574 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.062 -5.611 2.124 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.511 -6.037 3.767 1.00 0.00 H new ATOM 1018 N VAL A 66 4.521 -1.374 4.103 1.00 0.00 N ATOM 1019 CA VAL A 66 5.734 -0.691 3.574 1.00 0.00 C ATOM 1020 C VAL A 66 6.877 -1.689 3.427 1.00 0.00 C ATOM 1021 O VAL A 66 6.817 -2.796 3.923 1.00 0.00 O ATOM 1022 CB VAL A 66 6.094 0.377 4.608 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.284 1.194 4.096 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.896 1.309 4.830 1.00 0.00 C ATOM 0 H VAL A 66 4.580 -1.688 5.072 1.00 0.00 H new ATOM 0 HA VAL A 66 5.555 -0.255 2.591 1.00 0.00 H new ATOM 0 HB VAL A 66 6.355 -0.105 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.544 1.957 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.138 0.535 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.018 1.673 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.157 2.068 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.632 1.792 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.046 0.730 5.191 1.00 0.00 H new ATOM 1034 N VAL A 67 7.919 -1.305 2.748 1.00 0.00 N ATOM 1035 CA VAL A 67 9.066 -2.231 2.574 1.00 0.00 C ATOM 1036 C VAL A 67 10.320 -1.647 3.227 1.00 0.00 C ATOM 1037 O VAL A 67 10.572 -0.462 3.166 1.00 0.00 O ATOM 1038 CB VAL A 67 9.252 -2.355 1.061 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.434 -3.280 0.769 1.00 0.00 C ATOM 1040 CG2 VAL A 67 7.979 -2.935 0.436 1.00 0.00 C ATOM 0 H VAL A 67 8.025 -0.391 2.307 1.00 0.00 H new ATOM 0 HA VAL A 67 8.889 -3.200 3.041 1.00 0.00 H new ATOM 0 HB VAL A 67 9.448 -1.371 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.568 -3.370 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.339 -2.866 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.239 -4.265 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.111 -3.024 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.782 -3.920 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.137 -2.275 0.646 1.00 0.00 H new ATOM 1050 N CYS A 68 11.110 -2.479 3.842 1.00 0.00 N ATOM 1051 CA CYS A 68 12.357 -1.993 4.492 1.00 0.00 C ATOM 1052 C CYS A 68 13.538 -2.272 3.562 1.00 0.00 C ATOM 1053 O CYS A 68 13.408 -3.000 2.600 1.00 0.00 O ATOM 1054 CB CYS A 68 12.472 -2.810 5.781 1.00 0.00 C ATOM 1055 SG CYS A 68 13.762 -2.104 6.835 1.00 0.00 S ATOM 0 H CYS A 68 10.944 -3.482 3.923 1.00 0.00 H new ATOM 0 HA CYS A 68 12.347 -0.923 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.518 -2.812 6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.708 -3.848 5.546 1.00 0.00 H new ATOM 0 HG CYS A 68 14.520 -3.057 7.291 1.00 0.00 H new ATOM 1061 N SER A 69 14.682 -1.699 3.822 1.00 0.00 N ATOM 1062 CA SER A 69 15.846 -1.949 2.922 1.00 0.00 C ATOM 1063 C SER A 69 17.138 -2.121 3.721 1.00 0.00 C ATOM 1064 O SER A 69 17.477 -1.314 4.566 1.00 0.00 O ATOM 1065 CB SER A 69 15.937 -0.713 2.029 1.00 0.00 C ATOM 1066 OG SER A 69 15.431 0.418 2.726 1.00 0.00 O ATOM 0 H SER A 69 14.861 -1.075 4.609 1.00 0.00 H new ATOM 0 HA SER A 69 15.714 -2.866 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.972 -0.539 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.369 -0.872 1.112 1.00 0.00 H new ATOM 0 HG SER A 69 16.159 1.054 2.889 1.00 0.00 H new ATOM 1072 N THR A 70 17.872 -3.163 3.436 1.00 0.00 N ATOM 1073 CA THR A 70 19.162 -3.399 4.146 1.00 0.00 C ATOM 1074 C THR A 70 20.320 -3.063 3.189 1.00 0.00 C ATOM 1075 O THR A 70 20.131 -3.060 1.988 1.00 0.00 O ATOM 1076 CB THR A 70 19.140 -4.887 4.524 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.248 -5.185 5.360 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.204 -5.755 3.269 1.00 0.00 C ATOM 0 H THR A 70 17.631 -3.866 2.737 1.00 0.00 H new ATOM 0 HA THR A 70 19.295 -2.781 5.034 1.00 0.00 H new ATOM 0 HB THR A 70 18.212 -5.099 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.002 -5.483 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.188 -6.807 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.346 -5.538 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.124 -5.540 2.725 1.00 0.00 H new ATOM 1086 N PRO A 71 21.475 -2.756 3.734 1.00 0.00 N ATOM 1087 CA PRO A 71 22.638 -2.380 2.890 1.00 0.00 C ATOM 1088 C PRO A 71 23.116 -3.513 1.975 1.00 0.00 C ATOM 1089 O PRO A 71 24.055 -3.340 1.222 1.00 0.00 O ATOM 1090 CB PRO A 71 23.705 -2.014 3.925 1.00 0.00 C ATOM 1091 CG PRO A 71 23.110 -2.195 5.335 1.00 0.00 C ATOM 1092 CD PRO A 71 21.686 -2.755 5.204 1.00 0.00 C ATOM 0 HA PRO A 71 22.396 -1.574 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.584 -2.647 3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 71 24.032 -0.984 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.730 -2.873 5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.093 -1.241 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.603 -3.756 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.955 -2.131 5.718 1.00 0.00 H new ATOM 1100 N GLN A 72 22.484 -4.651 1.998 1.00 0.00 N ATOM 1101 CA GLN A 72 22.922 -5.745 1.090 1.00 0.00 C ATOM 1102 C GLN A 72 22.061 -5.712 -0.180 1.00 0.00 C ATOM 1103 O GLN A 72 21.870 -6.709 -0.842 1.00 0.00 O ATOM 1104 CB GLN A 72 22.704 -7.030 1.895 1.00 0.00 C ATOM 1105 CG GLN A 72 23.066 -8.261 1.053 1.00 0.00 C ATOM 1106 CD GLN A 72 24.483 -8.112 0.491 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.425 -7.915 1.231 1.00 0.00 O ATOM 1108 NE2 GLN A 72 24.671 -8.195 -0.798 1.00 0.00 N ATOM 0 H GLN A 72 21.690 -4.870 2.600 1.00 0.00 H new ATOM 0 HA GLN A 72 23.960 -5.660 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.314 -7.008 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.664 -7.094 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.001 -9.162 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.352 -8.377 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.879 -8.361 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.610 -8.094 -1.184 1.00 0.00 H new ATOM 1117 N SER A 73 21.535 -4.555 -0.519 1.00 0.00 N ATOM 1118 CA SER A 73 20.674 -4.434 -1.731 1.00 0.00 C ATOM 1119 C SER A 73 19.475 -5.371 -1.590 1.00 0.00 C ATOM 1120 O SER A 73 19.167 -6.144 -2.478 1.00 0.00 O ATOM 1121 CB SER A 73 21.561 -4.850 -2.901 1.00 0.00 C ATOM 1122 OG SER A 73 22.828 -4.216 -2.777 1.00 0.00 O ATOM 0 H SER A 73 21.670 -3.687 -0.001 1.00 0.00 H new ATOM 0 HA SER A 73 20.284 -3.426 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.683 -5.933 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.093 -4.571 -3.845 1.00 0.00 H new ATOM 0 HG SER A 73 23.402 -4.482 -3.526 1.00 0.00 H new ATOM 1128 N GLN A 74 18.815 -5.323 -0.462 1.00 0.00 N ATOM 1129 CA GLN A 74 17.650 -6.227 -0.234 1.00 0.00 C ATOM 1130 C GLN A 74 16.479 -5.451 0.377 1.00 0.00 C ATOM 1131 O GLN A 74 16.625 -4.319 0.797 1.00 0.00 O ATOM 1132 CB GLN A 74 18.156 -7.290 0.742 1.00 0.00 C ATOM 1133 CG GLN A 74 19.679 -7.412 0.641 1.00 0.00 C ATOM 1134 CD GLN A 74 20.128 -8.753 1.226 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.301 -8.868 2.516 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.324 -9.709 0.502 1.00 0.00 N flip ATOM 0 H GLN A 74 19.033 -4.696 0.312 1.00 0.00 H new ATOM 0 HA GLN A 74 17.285 -6.665 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.871 -7.026 1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.691 -8.250 0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 74 19.992 -7.336 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.156 -6.592 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.190 -9.622 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.623 -10.599 0.902 1.00 0.00 H new ATOM 1145 N TYR A 75 15.311 -6.046 0.413 1.00 0.00 N ATOM 1146 CA TYR A 75 14.120 -5.328 0.981 1.00 0.00 C ATOM 1147 C TYR A 75 13.156 -6.298 1.674 1.00 0.00 C ATOM 1148 O TYR A 75 13.163 -7.479 1.416 1.00 0.00 O ATOM 1149 CB TYR A 75 13.415 -4.695 -0.221 1.00 0.00 C ATOM 1150 CG TYR A 75 14.402 -3.918 -1.053 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.218 -4.586 -1.968 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.503 -2.533 -0.905 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.139 -3.873 -2.735 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.424 -1.816 -1.673 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.243 -2.485 -2.590 1.00 0.00 C ATOM 1156 OH TYR A 75 17.154 -1.778 -3.347 1.00 0.00 O ATOM 0 H TYR A 75 15.129 -6.992 0.077 1.00 0.00 H new ATOM 0 HA TYR A 75 14.431 -4.597 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.948 -5.471 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.618 -4.035 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.136 -5.657 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.870 -2.017 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.771 -4.392 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.504 -0.745 -1.559 1.00 0.00 H new ATOM 0 HH TYR A 75 17.096 -0.826 -3.124 1.00 0.00 H new ATOM 1166 N TYR A 76 12.303 -5.789 2.534 1.00 0.00 N ATOM 1167 CA TYR A 76 11.306 -6.658 3.244 1.00 0.00 C ATOM 1168 C TYR A 76 10.461 -5.824 4.212 1.00 0.00 C ATOM 1169 O TYR A 76 10.869 -4.774 4.660 1.00 0.00 O ATOM 1170 CB TYR A 76 12.128 -7.682 4.052 1.00 0.00 C ATOM 1171 CG TYR A 76 13.017 -6.967 5.047 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.489 -6.547 6.272 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.367 -6.739 4.756 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.304 -5.900 7.205 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.184 -6.090 5.688 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.652 -5.670 6.914 1.00 0.00 C ATOM 1177 OH TYR A 76 15.458 -5.032 7.834 1.00 0.00 O ATOM 0 H TYR A 76 12.254 -4.799 2.777 1.00 0.00 H new ATOM 0 HA TYR A 76 10.633 -7.136 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.459 -8.365 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.736 -8.285 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.448 -6.723 6.498 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.778 -7.064 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.893 -5.578 8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.225 -5.913 5.462 1.00 0.00 H new ATOM 0 HH TYR A 76 16.366 -4.953 7.474 1.00 0.00 H new ATOM 1187 N LEU A 77 9.316 -6.323 4.590 1.00 0.00 N ATOM 1188 CA LEU A 77 8.472 -5.599 5.587 1.00 0.00 C ATOM 1189 C LEU A 77 8.738 -6.269 6.939 1.00 0.00 C ATOM 1190 O LEU A 77 8.353 -5.796 7.990 1.00 0.00 O ATOM 1191 CB LEU A 77 7.023 -5.807 5.129 1.00 0.00 C ATOM 1192 CG LEU A 77 6.049 -5.287 6.195 1.00 0.00 C ATOM 1193 CD1 LEU A 77 6.195 -3.770 6.340 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.613 -5.614 5.772 1.00 0.00 C ATOM 0 H LEU A 77 8.926 -7.203 4.251 1.00 0.00 H new ATOM 0 HA LEU A 77 8.680 -4.532 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.854 -5.286 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.841 -6.866 4.945 1.00 0.00 H new ATOM 0 HG LEU A 77 6.274 -5.765 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.500 -3.408 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.215 -3.530 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.973 -3.290 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.918 -5.246 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.397 -5.136 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.500 -6.693 5.671 1.00 0.00 H new ATOM 1206 N ALA A 78 9.457 -7.358 6.878 1.00 0.00 N ATOM 1207 CA ALA A 78 9.868 -8.119 8.080 1.00 0.00 C ATOM 1208 C ALA A 78 11.165 -8.842 7.711 1.00 0.00 C ATOM 1209 O ALA A 78 11.205 -9.602 6.764 1.00 0.00 O ATOM 1210 CB ALA A 78 8.736 -9.111 8.351 1.00 0.00 C ATOM 0 H ALA A 78 9.787 -7.763 6.002 1.00 0.00 H new ATOM 0 HA ALA A 78 10.040 -7.506 8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.978 -9.708 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.809 -8.566 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.614 -9.768 7.490 1.00 0.00 H new ATOM 1216 N GLU A 79 12.234 -8.585 8.418 1.00 0.00 N ATOM 1217 CA GLU A 79 13.542 -9.230 8.073 1.00 0.00 C ATOM 1218 C GLU A 79 13.380 -10.734 7.849 1.00 0.00 C ATOM 1219 O GLU A 79 14.210 -11.369 7.229 1.00 0.00 O ATOM 1220 CB GLU A 79 14.446 -8.962 9.274 1.00 0.00 C ATOM 1221 CG GLU A 79 15.213 -7.662 9.042 1.00 0.00 C ATOM 1222 CD GLU A 79 16.370 -7.564 10.038 1.00 0.00 C ATOM 1223 OE1 GLU A 79 17.398 -8.169 9.784 1.00 0.00 O ATOM 1224 OE2 GLU A 79 16.208 -6.886 11.040 1.00 0.00 O ATOM 0 H GLU A 79 12.261 -7.956 9.221 1.00 0.00 H new ATOM 0 HA GLU A 79 13.953 -8.828 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.851 -8.890 10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.142 -9.789 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.595 -7.630 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.546 -6.808 9.159 1.00 0.00 H new ATOM 1231 N LYS A 80 12.314 -11.300 8.343 1.00 0.00 N ATOM 1232 CA LYS A 80 12.073 -12.766 8.158 1.00 0.00 C ATOM 1233 C LYS A 80 12.414 -13.189 6.723 1.00 0.00 C ATOM 1234 O LYS A 80 12.935 -14.262 6.488 1.00 0.00 O ATOM 1235 CB LYS A 80 10.578 -12.947 8.414 1.00 0.00 C ATOM 1236 CG LYS A 80 10.357 -13.524 9.816 1.00 0.00 C ATOM 1237 CD LYS A 80 9.439 -14.746 9.731 1.00 0.00 C ATOM 1238 CE LYS A 80 7.997 -14.325 10.025 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.811 -14.580 11.481 1.00 0.00 N ATOM 0 H LYS A 80 11.592 -10.810 8.871 1.00 0.00 H new ATOM 0 HA LYS A 80 12.689 -13.371 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.065 -11.990 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.150 -13.613 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.312 -13.805 10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.914 -12.769 10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.503 -15.193 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.760 -15.505 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.836 -13.274 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.288 -14.901 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.844 -14.315 11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.964 -15.589 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.494 -14.013 12.023 1.00 0.00 H new ATOM 1253 N HIS A 81 12.127 -12.345 5.769 1.00 0.00 N ATOM 1254 CA HIS A 81 12.435 -12.680 4.348 1.00 0.00 C ATOM 1255 C HIS A 81 12.565 -11.388 3.548 1.00 0.00 C ATOM 1256 O HIS A 81 11.797 -10.462 3.728 1.00 0.00 O ATOM 1257 CB HIS A 81 11.249 -13.509 3.849 1.00 0.00 C ATOM 1258 CG HIS A 81 9.958 -12.818 4.198 1.00 0.00 C ATOM 1259 ND1 HIS A 81 9.516 -11.689 3.528 1.00 0.00 N ATOM 1260 CD2 HIS A 81 9.003 -13.088 5.148 1.00 0.00 C ATOM 1261 CE1 HIS A 81 8.344 -11.323 4.079 1.00 0.00 C ATOM 1262 NE2 HIS A 81 7.985 -12.143 5.070 1.00 0.00 N ATOM 0 H HIS A 81 11.691 -11.434 5.913 1.00 0.00 H new ATOM 0 HA HIS A 81 13.369 -13.232 4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.318 -13.646 2.770 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.273 -14.502 4.298 1.00 0.00 H new ATOM 0 HD1 HIS A 81 9.992 -11.220 2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.037 -13.909 5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.764 -10.470 3.759 1.00 0.00 H new ATOM 1270 N LEU A 82 13.534 -11.300 2.681 1.00 0.00 N ATOM 1271 CA LEU A 82 13.700 -10.050 1.901 1.00 0.00 C ATOM 1272 C LEU A 82 14.200 -10.350 0.485 1.00 0.00 C ATOM 1273 O LEU A 82 14.970 -11.265 0.266 1.00 0.00 O ATOM 1274 CB LEU A 82 14.727 -9.233 2.702 1.00 0.00 C ATOM 1275 CG LEU A 82 16.095 -9.905 2.663 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.157 -8.904 3.117 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.113 -11.117 3.602 1.00 0.00 C ATOM 0 H LEU A 82 14.212 -12.035 2.482 1.00 0.00 H new ATOM 0 HA LEU A 82 12.762 -9.510 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.799 -8.226 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.394 -9.133 3.735 1.00 0.00 H new ATOM 0 HG LEU A 82 16.302 -10.237 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.138 -9.378 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.153 -8.042 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.938 -8.577 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.094 -11.590 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.904 -10.791 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.354 -11.833 3.287 1.00 0.00 H new ATOM 1289 N PHE A 83 13.766 -9.579 -0.475 1.00 0.00 N ATOM 1290 CA PHE A 83 14.211 -9.805 -1.878 1.00 0.00 C ATOM 1291 C PHE A 83 15.045 -8.611 -2.349 1.00 0.00 C ATOM 1292 O PHE A 83 15.681 -7.952 -1.551 1.00 0.00 O ATOM 1293 CB PHE A 83 12.918 -9.953 -2.681 1.00 0.00 C ATOM 1294 CG PHE A 83 12.405 -11.362 -2.512 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.980 -12.406 -3.248 1.00 0.00 C ATOM 1296 CD2 PHE A 83 11.364 -11.628 -1.616 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.512 -13.716 -3.088 1.00 0.00 C ATOM 1298 CE2 PHE A 83 10.895 -12.938 -1.456 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.469 -13.981 -2.192 1.00 0.00 C ATOM 0 H PHE A 83 13.120 -8.800 -0.346 1.00 0.00 H new ATOM 0 HA PHE A 83 14.843 -10.685 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.174 -9.235 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.100 -9.741 -3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.784 -12.201 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.922 -10.823 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.955 -14.521 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.091 -13.143 -0.765 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.107 -14.991 -2.069 1.00 0.00 H new ATOM 1309 N SER A 84 15.074 -8.330 -3.625 1.00 0.00 N ATOM 1310 CA SER A 84 15.901 -7.183 -4.103 1.00 0.00 C ATOM 1311 C SER A 84 15.030 -5.996 -4.542 1.00 0.00 C ATOM 1312 O SER A 84 15.537 -5.016 -5.056 1.00 0.00 O ATOM 1313 CB SER A 84 16.684 -7.736 -5.293 1.00 0.00 C ATOM 1314 OG SER A 84 17.374 -8.913 -4.894 1.00 0.00 O ATOM 0 H SER A 84 14.567 -8.838 -4.350 1.00 0.00 H new ATOM 0 HA SER A 84 16.548 -6.803 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.006 -7.959 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.392 -6.991 -5.656 1.00 0.00 H new ATOM 0 HG SER A 84 17.876 -9.272 -5.655 1.00 0.00 H new ATOM 1320 N THR A 85 13.736 -6.054 -4.344 1.00 0.00 N ATOM 1321 CA THR A 85 12.869 -4.899 -4.752 1.00 0.00 C ATOM 1322 C THR A 85 11.456 -5.038 -4.173 1.00 0.00 C ATOM 1323 O THR A 85 11.012 -6.122 -3.831 1.00 0.00 O ATOM 1324 CB THR A 85 12.795 -4.934 -6.284 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.024 -5.390 -6.830 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.495 -3.527 -6.803 1.00 0.00 C ATOM 0 H THR A 85 13.244 -6.842 -3.922 1.00 0.00 H new ATOM 0 HA THR A 85 13.285 -3.962 -4.382 1.00 0.00 H new ATOM 0 HB THR A 85 12.004 -5.620 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.753 -4.812 -6.522 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.441 -3.545 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.543 -3.185 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.287 -2.847 -6.490 1.00 0.00 H new ATOM 1334 N ILE A 86 10.738 -3.943 -4.075 1.00 0.00 N ATOM 1335 CA ILE A 86 9.349 -4.006 -3.534 1.00 0.00 C ATOM 1336 C ILE A 86 8.449 -4.860 -4.450 1.00 0.00 C ATOM 1337 O ILE A 86 7.843 -5.803 -3.983 1.00 0.00 O ATOM 1338 CB ILE A 86 8.881 -2.549 -3.473 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.391 -1.915 -2.176 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.349 -2.479 -3.505 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.632 -1.072 -2.471 1.00 0.00 C ATOM 0 H ILE A 86 11.056 -3.013 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 86 9.304 -4.477 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 86 9.275 -2.010 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.613 -1.293 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.631 -2.691 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.031 -1.437 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.983 -2.931 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.942 -3.019 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.994 -0.621 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.411 -1.706 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.377 -0.286 -3.182 1.00 0.00 H new ATOM 1353 N PRO A 87 8.380 -4.526 -5.729 1.00 0.00 N ATOM 1354 CA PRO A 87 7.537 -5.313 -6.660 1.00 0.00 C ATOM 1355 C PRO A 87 7.915 -6.790 -6.569 1.00 0.00 C ATOM 1356 O PRO A 87 7.092 -7.668 -6.743 1.00 0.00 O ATOM 1357 CB PRO A 87 7.889 -4.717 -8.026 1.00 0.00 C ATOM 1358 CG PRO A 87 8.921 -3.592 -7.820 1.00 0.00 C ATOM 1359 CD PRO A 87 9.124 -3.383 -6.313 1.00 0.00 C ATOM 0 HA PRO A 87 6.468 -5.265 -6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.295 -5.487 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.994 -4.326 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.866 -3.854 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.574 -2.670 -8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.179 -3.402 -6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.725 -2.425 -5.978 1.00 0.00 H new ATOM 1367 N GLU A 88 9.155 -7.067 -6.266 1.00 0.00 N ATOM 1368 CA GLU A 88 9.590 -8.482 -6.125 1.00 0.00 C ATOM 1369 C GLU A 88 8.869 -9.096 -4.924 1.00 0.00 C ATOM 1370 O GLU A 88 8.169 -10.085 -5.040 1.00 0.00 O ATOM 1371 CB GLU A 88 11.098 -8.412 -5.874 1.00 0.00 C ATOM 1372 CG GLU A 88 11.782 -9.632 -6.492 1.00 0.00 C ATOM 1373 CD GLU A 88 12.353 -9.261 -7.862 1.00 0.00 C ATOM 1374 OE1 GLU A 88 11.627 -9.382 -8.835 1.00 0.00 O ATOM 1375 OE2 GLU A 88 13.504 -8.861 -7.915 1.00 0.00 O ATOM 0 H GLU A 88 9.885 -6.372 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 88 9.363 -9.092 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.506 -7.498 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.297 -8.376 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.579 -9.985 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.068 -10.449 -6.594 1.00 0.00 H new ATOM 1382 N LEU A 89 9.023 -8.496 -3.772 1.00 0.00 N ATOM 1383 CA LEU A 89 8.337 -9.021 -2.553 1.00 0.00 C ATOM 1384 C LEU A 89 6.829 -9.128 -2.796 1.00 0.00 C ATOM 1385 O LEU A 89 6.236 -10.175 -2.626 1.00 0.00 O ATOM 1386 CB LEU A 89 8.618 -7.987 -1.461 1.00 0.00 C ATOM 1387 CG LEU A 89 9.848 -8.403 -0.656 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.455 -7.171 0.019 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.437 -9.417 0.413 1.00 0.00 C ATOM 0 H LEU A 89 9.595 -7.665 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 89 8.692 -10.015 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.780 -7.007 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.754 -7.897 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 89 10.584 -8.853 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.333 -7.466 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.746 -6.446 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.719 -6.722 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.314 -9.715 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.702 -8.965 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.002 -10.294 -0.066 1.00 0.00 H new ATOM 1662 N TYR A 106 -6.653 -3.656 -7.060 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.585 -2.721 -7.757 1.00 0.00 C ATOM 1664 C TYR A 106 -6.867 -1.380 -7.973 1.00 0.00 C ATOM 1665 O TYR A 106 -6.664 -0.637 -7.034 1.00 0.00 O ATOM 1666 CB TYR A 106 -8.794 -2.542 -6.834 1.00 0.00 C ATOM 1667 CG TYR A 106 -9.714 -1.506 -7.439 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.483 -0.146 -7.199 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.781 -1.902 -8.254 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.320 0.818 -7.770 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.618 -0.937 -8.827 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.388 0.424 -8.586 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.214 1.376 -9.149 1.00 0.00 O ATOM 0 HA TYR A 106 -7.901 -3.101 -8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.320 -3.489 -6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.469 -2.227 -5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.658 0.159 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.958 -2.951 -8.441 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.143 1.867 -7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.442 -1.242 -9.455 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.903 0.934 -9.687 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.479 -1.116 -9.199 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.756 0.138 -9.509 1.00 0.00 C ATOM 1685 C PRO A 107 -6.604 1.382 -9.221 1.00 0.00 C ATOM 1686 O PRO A 107 -7.505 1.720 -9.962 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.478 0.008 -11.008 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.061 -1.327 -11.509 1.00 0.00 C ATOM 1689 CD PRO A 107 -6.732 -2.042 -10.330 1.00 0.00 C ATOM 0 HA PRO A 107 -4.860 0.264 -8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.926 0.842 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.405 0.046 -11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.785 -1.149 -12.305 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.272 -1.950 -11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.798 -2.191 -10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.297 -3.026 -10.153 1.00 0.00 H new