USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 441 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 564 CYS SG : rot 160:sc= 0.198 USER MOD Set 1.2: A 567 CYS SG : rot -64:sc= -0.747 USER MOD Set 1.3: A 596 HIS : no HD1:sc= 0.21 K(o=-0.63,f=-2) USER MOD Set 1.4: A 599 CYS SG : rot 136:sc= -0.286 USER MOD Set 2.1: A 586 ASN : amide:sc= 1.24 K(o=3.7,f=2.3) USER MOD Set 2.2: A 597 SER OG : rot 134:sc= 1.93 USER MOD Set 2.3: A 598 THR OG1 : rot -167:sc= 0.574 USER MOD Single : A 549 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 558 GLN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 560 MET CE :methyl 157:sc= 0 (180deg=-0.437) USER MOD Single : A 563 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.471) USER MOD Single : A 568 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00664) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 66:sc= 0.627 USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 TYR OH : rot 53:sc= 0.0731 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot 82:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 27.219 -2.915 -0.732 1.00 0.00 N ATOM 185 CA ILE A 546 28.413 -3.480 -0.087 1.00 0.00 C ATOM 186 C ILE A 546 28.476 -3.050 1.391 1.00 0.00 C ATOM 187 O ILE A 546 28.767 -3.867 2.266 1.00 0.00 O ATOM 188 CB ILE A 546 29.680 -3.031 -0.854 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.742 -3.531 -2.315 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.958 -3.431 -0.108 1.00 0.00 C ATOM 191 CD1 ILE A 546 30.170 -4.996 -2.483 1.00 0.00 C ATOM 0 HA ILE A 546 28.359 -4.568 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 546 29.611 -1.944 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.760 -3.401 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 546 30.436 -2.900 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.829 -3.100 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.966 -2.963 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.989 -4.515 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 546 30.183 -5.252 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 546 31.167 -5.134 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 546 29.464 -5.643 -1.962 1.00 0.00 H new ATOM 203 N ARG A 547 28.150 -1.790 1.702 1.00 0.00 N ATOM 204 CA ARG A 547 28.187 -1.253 3.078 1.00 0.00 C ATOM 205 C ARG A 547 27.148 -1.919 3.987 1.00 0.00 C ATOM 206 O ARG A 547 27.384 -2.071 5.186 1.00 0.00 O ATOM 207 CB ARG A 547 28.029 0.275 3.020 1.00 0.00 C ATOM 208 CG ARG A 547 28.220 0.953 4.386 1.00 0.00 C ATOM 209 CD ARG A 547 28.149 2.479 4.247 1.00 0.00 C ATOM 210 NE ARG A 547 28.318 3.137 5.558 1.00 0.00 N ATOM 211 CZ ARG A 547 28.227 4.430 5.814 1.00 0.00 C ATOM 212 NH1 ARG A 547 27.969 5.302 4.880 1.00 0.00 N ATOM 213 NH2 ARG A 547 28.388 4.877 7.027 1.00 0.00 N ATOM 0 H ARG A 547 27.851 -1.106 1.007 1.00 0.00 H new ATOM 0 HA ARG A 547 29.152 -1.488 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 547 28.753 0.683 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 547 27.038 0.518 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 547 27.452 0.610 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 547 29.182 0.666 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 547 28.924 2.822 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 547 27.190 2.764 3.814 1.00 0.00 H new ATOM 0 HE ARG A 547 28.527 2.529 6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 547 27.831 4.993 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 547 27.905 6.293 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 547 28.586 4.227 7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 547 28.316 5.877 7.216 1.00 0.00 H new ATOM 227 N GLY A 548 26.029 -2.380 3.420 1.00 0.00 N ATOM 228 CA GLY A 548 24.983 -3.133 4.125 1.00 0.00 C ATOM 229 C GLY A 548 25.355 -4.578 4.513 1.00 0.00 C ATOM 230 O GLY A 548 24.578 -5.216 5.225 1.00 0.00 O ATOM 0 H GLY A 548 25.819 -2.237 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.716 -2.589 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 548 24.093 -3.161 3.496 1.00 0.00 H new ATOM 234 N LYS A 549 26.505 -5.112 4.071 1.00 0.00 N ATOM 235 CA LYS A 549 26.984 -6.468 4.416 1.00 0.00 C ATOM 236 C LYS A 549 27.416 -6.548 5.892 1.00 0.00 C ATOM 237 O LYS A 549 27.993 -5.593 6.426 1.00 0.00 O ATOM 238 CB LYS A 549 28.145 -6.878 3.489 1.00 0.00 C ATOM 239 CG LYS A 549 27.787 -6.911 1.998 1.00 0.00 C ATOM 240 CD LYS A 549 26.816 -8.047 1.640 1.00 0.00 C ATOM 241 CE LYS A 549 26.407 -7.981 0.162 1.00 0.00 C ATOM 242 NZ LYS A 549 25.349 -6.968 -0.091 1.00 0.00 N ATOM 0 H LYS A 549 27.141 -4.608 3.453 1.00 0.00 H new ATOM 0 HA LYS A 549 26.158 -7.165 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.973 -6.184 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.500 -7.865 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.342 -5.957 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.700 -7.022 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.285 -9.009 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.928 -7.982 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 549 27.282 -7.747 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 549 26.051 -8.961 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.108 -6.963 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 24.502 -7.204 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 25.695 -6.028 0.187 1.00 0.00 H new ATOM 256 N TYR A 550 27.179 -7.692 6.532 1.00 0.00 N ATOM 257 CA TYR A 550 27.565 -7.938 7.927 1.00 0.00 C ATOM 258 C TYR A 550 27.892 -9.402 8.232 1.00 0.00 C ATOM 259 O TYR A 550 27.558 -10.313 7.467 1.00 0.00 O ATOM 260 CB TYR A 550 26.478 -7.415 8.888 1.00 0.00 C ATOM 261 CG TYR A 550 25.096 -8.037 8.727 1.00 0.00 C ATOM 262 CD1 TYR A 550 24.105 -7.377 7.976 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.797 -9.267 9.346 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.823 -7.940 7.836 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.526 -9.844 9.200 1.00 0.00 C ATOM 266 CZ TYR A 550 22.529 -9.178 8.447 1.00 0.00 C ATOM 267 OH TYR A 550 21.291 -9.717 8.303 1.00 0.00 O ATOM 0 H TYR A 550 26.709 -8.485 6.095 1.00 0.00 H new ATOM 0 HA TYR A 550 28.491 -7.386 8.084 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.814 -7.582 9.912 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.389 -6.337 8.753 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.330 -6.432 7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.550 -9.768 9.936 1.00 0.00 H new ATOM 0 HE1 TYR A 550 22.066 -7.426 7.262 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.309 -10.796 9.662 1.00 0.00 H new ATOM 0 HH TYR A 550 21.248 -10.571 8.782 1.00 0.00 H new ATOM 277 N VAL A 551 28.511 -9.622 9.395 1.00 0.00 N ATOM 278 CA VAL A 551 28.848 -10.933 9.983 1.00 0.00 C ATOM 279 C VAL A 551 28.519 -10.928 11.488 1.00 0.00 C ATOM 280 O VAL A 551 28.738 -9.923 12.157 1.00 0.00 O ATOM 281 CB VAL A 551 30.327 -11.293 9.722 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.544 -11.734 8.268 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.335 -10.186 10.034 1.00 0.00 C ATOM 0 H VAL A 551 28.810 -8.849 9.990 1.00 0.00 H new ATOM 0 HA VAL A 551 28.244 -11.704 9.504 1.00 0.00 H new ATOM 0 HB VAL A 551 30.518 -12.108 10.421 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.595 -11.981 8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.931 -12.611 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.260 -10.924 7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.343 -10.540 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 551 31.117 -9.312 9.420 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.264 -9.916 11.088 1.00 0.00 H new ATOM 293 N VAL A 552 27.950 -12.011 12.033 1.00 0.00 N ATOM 294 CA VAL A 552 27.552 -12.101 13.454 1.00 0.00 C ATOM 295 C VAL A 552 28.788 -12.169 14.370 1.00 0.00 C ATOM 296 O VAL A 552 29.716 -12.939 14.105 1.00 0.00 O ATOM 297 CB VAL A 552 26.582 -13.284 13.700 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.348 -13.640 15.170 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.212 -13.001 13.065 1.00 0.00 C ATOM 0 H VAL A 552 27.749 -12.858 11.501 1.00 0.00 H new ATOM 0 HA VAL A 552 27.009 -11.191 13.707 1.00 0.00 H new ATOM 0 HB VAL A 552 27.081 -14.136 13.237 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.655 -14.479 15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.296 -13.915 15.633 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.926 -12.780 15.690 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.545 -13.843 13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.787 -12.099 13.504 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.331 -12.860 11.991 1.00 0.00 H new ATOM 309 N VAL A 553 28.788 -11.379 15.452 1.00 0.00 N ATOM 310 CA VAL A 553 29.866 -11.344 16.452 1.00 0.00 C ATOM 311 C VAL A 553 29.598 -12.322 17.610 1.00 0.00 C ATOM 312 O VAL A 553 28.559 -12.192 18.265 1.00 0.00 O ATOM 313 CB VAL A 553 30.106 -9.936 17.045 1.00 0.00 C ATOM 314 CG1 VAL A 553 31.497 -9.936 17.697 1.00 0.00 C ATOM 315 CG2 VAL A 553 30.095 -8.791 16.036 1.00 0.00 C ATOM 0 H VAL A 553 28.026 -10.734 15.661 1.00 0.00 H new ATOM 0 HA VAL A 553 30.762 -11.643 15.909 1.00 0.00 H new ATOM 0 HB VAL A 553 29.280 -9.758 17.734 1.00 0.00 H new ATOM 0 HG11 VAL A 553 31.698 -8.954 18.126 1.00 0.00 H new ATOM 0 HG12 VAL A 553 31.530 -10.690 18.484 1.00 0.00 H new ATOM 0 HG13 VAL A 553 32.252 -10.164 16.944 1.00 0.00 H new ATOM 0 HG21 VAL A 553 30.272 -7.848 16.554 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.878 -8.951 15.295 1.00 0.00 H new ATOM 0 HG23 VAL A 553 29.126 -8.755 15.538 1.00 0.00 H new ATOM 325 N PRO A 554 30.513 -13.260 17.920 1.00 0.00 N ATOM 326 CA PRO A 554 30.441 -14.083 19.126 1.00 0.00 C ATOM 327 C PRO A 554 30.964 -13.328 20.360 1.00 0.00 C ATOM 328 O PRO A 554 31.859 -12.495 20.248 1.00 0.00 O ATOM 329 CB PRO A 554 31.305 -15.302 18.796 1.00 0.00 C ATOM 330 CG PRO A 554 32.410 -14.721 17.919 1.00 0.00 C ATOM 331 CD PRO A 554 31.693 -13.617 17.133 1.00 0.00 C ATOM 0 HA PRO A 554 29.418 -14.359 19.382 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.708 -15.765 19.697 1.00 0.00 H new ATOM 0 HB3 PRO A 554 30.735 -16.069 18.271 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.230 -14.322 18.516 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.836 -15.475 17.257 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.343 -12.754 16.992 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.408 -13.967 16.141 1.00 0.00 H new ATOM 339 N GLU A 555 30.490 -13.655 21.569 1.00 0.00 N ATOM 340 CA GLU A 555 31.001 -13.042 22.811 1.00 0.00 C ATOM 341 C GLU A 555 32.469 -13.425 23.118 1.00 0.00 C ATOM 342 O GLU A 555 33.141 -12.739 23.895 1.00 0.00 O ATOM 343 CB GLU A 555 30.066 -13.358 23.994 1.00 0.00 C ATOM 344 CG GLU A 555 30.021 -14.840 24.398 1.00 0.00 C ATOM 345 CD GLU A 555 29.189 -15.043 25.676 1.00 0.00 C ATOM 346 OE1 GLU A 555 28.006 -15.457 25.575 1.00 0.00 O ATOM 347 OE2 GLU A 555 29.705 -14.802 26.794 1.00 0.00 O ATOM 0 H GLU A 555 29.751 -14.342 21.718 1.00 0.00 H new ATOM 0 HA GLU A 555 31.007 -11.963 22.656 1.00 0.00 H new ATOM 0 HB2 GLU A 555 30.381 -12.770 24.856 1.00 0.00 H new ATOM 0 HB3 GLU A 555 29.057 -13.034 23.739 1.00 0.00 H new ATOM 0 HG2 GLU A 555 29.594 -15.428 23.586 1.00 0.00 H new ATOM 0 HG3 GLU A 555 31.035 -15.207 24.559 1.00 0.00 H new ATOM 354 N THR A 556 32.990 -14.503 22.507 1.00 0.00 N ATOM 355 CA THR A 556 34.407 -14.914 22.582 1.00 0.00 C ATOM 356 C THR A 556 35.358 -13.989 21.790 1.00 0.00 C ATOM 357 O THR A 556 36.545 -13.906 22.115 1.00 0.00 O ATOM 358 CB THR A 556 34.559 -16.411 22.282 1.00 0.00 C ATOM 359 OG1 THR A 556 35.665 -16.977 22.966 1.00 0.00 O ATOM 360 CG2 THR A 556 34.805 -16.617 20.813 1.00 0.00 C ATOM 0 H THR A 556 32.426 -15.129 21.933 1.00 0.00 H new ATOM 0 HA THR A 556 34.739 -14.780 23.612 1.00 0.00 H new ATOM 0 HB THR A 556 33.637 -16.891 22.609 1.00 0.00 H new ATOM 0 HG1 THR A 556 35.729 -17.931 22.752 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.912 -17.682 20.608 1.00 0.00 H new ATOM 0 HG22 THR A 556 33.964 -16.220 20.244 1.00 0.00 H new ATOM 0 HG23 THR A 556 35.718 -16.098 20.521 1.00 0.00 H new ATOM 368 N SER A 557 34.853 -13.253 20.793 1.00 0.00 N ATOM 369 CA SER A 557 35.616 -12.200 20.101 1.00 0.00 C ATOM 370 C SER A 557 35.762 -10.972 21.000 1.00 0.00 C ATOM 371 O SER A 557 34.766 -10.388 21.435 1.00 0.00 O ATOM 372 CB SER A 557 34.963 -11.842 18.756 1.00 0.00 C ATOM 373 OG SER A 557 35.300 -12.833 17.799 1.00 0.00 O ATOM 0 H SER A 557 33.903 -13.369 20.441 1.00 0.00 H new ATOM 0 HA SER A 557 36.615 -12.579 19.885 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.881 -11.780 18.868 1.00 0.00 H new ATOM 0 HB3 SER A 557 35.305 -10.863 18.420 1.00 0.00 H new ATOM 0 HG SER A 557 34.885 -12.612 16.939 1.00 0.00 H new ATOM 379 N GLN A 558 37.008 -10.572 21.284 1.00 0.00 N ATOM 380 CA GLN A 558 37.364 -9.577 22.308 1.00 0.00 C ATOM 381 C GLN A 558 36.596 -8.253 22.135 1.00 0.00 C ATOM 382 O GLN A 558 36.762 -7.544 21.142 1.00 0.00 O ATOM 383 CB GLN A 558 38.889 -9.358 22.292 1.00 0.00 C ATOM 384 CG GLN A 558 39.397 -8.457 23.427 1.00 0.00 C ATOM 385 CD GLN A 558 39.395 -9.171 24.783 1.00 0.00 C ATOM 386 OE1 GLN A 558 40.133 -10.122 25.012 1.00 0.00 O ATOM 387 NE2 GLN A 558 38.595 -8.756 25.744 1.00 0.00 N ATOM 0 H GLN A 558 37.822 -10.942 20.794 1.00 0.00 H new ATOM 0 HA GLN A 558 37.067 -9.965 23.283 1.00 0.00 H new ATOM 0 HB2 GLN A 558 39.386 -10.326 22.358 1.00 0.00 H new ATOM 0 HB3 GLN A 558 39.174 -8.918 21.336 1.00 0.00 H new ATOM 0 HG2 GLN A 558 40.408 -8.122 23.197 1.00 0.00 H new ATOM 0 HG3 GLN A 558 38.772 -7.566 23.487 1.00 0.00 H new ATOM 0 HE21 GLN A 558 37.970 -7.967 25.582 1.00 0.00 H new ATOM 0 HE22 GLN A 558 38.601 -9.224 26.650 1.00 0.00 H new ATOM 396 N ASP A 559 35.763 -7.915 23.120 1.00 0.00 N ATOM 397 CA ASP A 559 34.959 -6.685 23.205 1.00 0.00 C ATOM 398 C ASP A 559 34.072 -6.402 21.969 1.00 0.00 C ATOM 399 O ASP A 559 33.697 -5.249 21.735 1.00 0.00 O ATOM 400 CB ASP A 559 35.848 -5.468 23.564 1.00 0.00 C ATOM 401 CG ASP A 559 36.829 -5.643 24.747 1.00 0.00 C ATOM 402 OD1 ASP A 559 37.766 -4.819 24.864 1.00 0.00 O ATOM 403 OD2 ASP A 559 36.680 -6.570 25.582 1.00 0.00 O ATOM 0 H ASP A 559 35.620 -8.523 23.927 1.00 0.00 H new ATOM 0 HA ASP A 559 34.250 -6.857 24.015 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.427 -5.198 22.681 1.00 0.00 H new ATOM 0 HB3 ASP A 559 35.195 -4.625 23.787 1.00 0.00 H new ATOM 408 N MET A 560 33.754 -7.417 21.149 1.00 0.00 N ATOM 409 CA MET A 560 33.130 -7.283 19.835 1.00 0.00 C ATOM 410 C MET A 560 33.883 -6.324 18.894 1.00 0.00 C ATOM 411 O MET A 560 33.269 -5.636 18.080 1.00 0.00 O ATOM 412 CB MET A 560 31.629 -6.979 19.950 1.00 0.00 C ATOM 413 CG MET A 560 30.902 -8.059 20.756 1.00 0.00 C ATOM 414 SD MET A 560 29.098 -7.963 20.632 1.00 0.00 S ATOM 415 CE MET A 560 28.706 -9.663 21.125 1.00 0.00 C ATOM 0 H MET A 560 33.934 -8.389 21.399 1.00 0.00 H new ATOM 0 HA MET A 560 33.212 -8.256 19.350 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.488 -6.009 20.427 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.192 -6.910 18.954 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.230 -9.040 20.412 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.191 -7.975 21.804 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.685 -9.706 21.504 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.801 -10.323 20.263 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.396 -9.984 21.905 1.00 0.00 H new ATOM 425 N ALA A 561 35.211 -6.265 19.008 1.00 0.00 N ATOM 426 CA ALA A 561 36.077 -5.374 18.247 1.00 0.00 C ATOM 427 C ALA A 561 37.218 -6.127 17.531 1.00 0.00 C ATOM 428 O ALA A 561 37.888 -6.981 18.118 1.00 0.00 O ATOM 429 CB ALA A 561 36.583 -4.277 19.185 1.00 0.00 C ATOM 0 H ALA A 561 35.728 -6.859 19.657 1.00 0.00 H new ATOM 0 HA ALA A 561 35.505 -4.915 17.440 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.234 -3.599 18.634 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.735 -3.721 19.585 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.141 -4.729 20.005 1.00 0.00 H new ATOM 435 N PHE A 562 37.448 -5.794 16.255 1.00 0.00 N ATOM 436 CA PHE A 562 38.549 -6.315 15.438 1.00 0.00 C ATOM 437 C PHE A 562 39.001 -5.254 14.427 1.00 0.00 C ATOM 438 O PHE A 562 38.266 -4.302 14.167 1.00 0.00 O ATOM 439 CB PHE A 562 38.128 -7.611 14.732 1.00 0.00 C ATOM 440 CG PHE A 562 39.289 -8.385 14.140 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.559 -8.326 12.757 1.00 0.00 C ATOM 442 CD2 PHE A 562 40.131 -9.133 14.987 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.674 -9.006 12.225 1.00 0.00 C ATOM 444 CE2 PHE A 562 41.241 -9.812 14.454 1.00 0.00 C ATOM 445 CZ PHE A 562 41.515 -9.749 13.075 1.00 0.00 C ATOM 0 H PHE A 562 36.856 -5.136 15.749 1.00 0.00 H new ATOM 0 HA PHE A 562 39.393 -6.549 16.087 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.603 -8.248 15.443 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.421 -7.369 13.938 1.00 0.00 H new ATOM 0 HD1 PHE A 562 38.911 -7.759 12.105 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.924 -9.185 16.046 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.883 -8.957 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 562 41.886 -10.384 15.105 1.00 0.00 H new ATOM 0 HZ PHE A 562 42.370 -10.270 12.669 1.00 0.00 H new ATOM 455 N LYS A 563 40.207 -5.381 13.863 1.00 0.00 N ATOM 456 CA LYS A 563 40.828 -4.349 13.011 1.00 0.00 C ATOM 457 C LYS A 563 40.968 -4.783 11.555 1.00 0.00 C ATOM 458 O LYS A 563 41.507 -5.853 11.273 1.00 0.00 O ATOM 459 CB LYS A 563 42.165 -3.918 13.640 1.00 0.00 C ATOM 460 CG LYS A 563 42.785 -2.696 12.943 1.00 0.00 C ATOM 461 CD LYS A 563 44.144 -2.250 13.512 1.00 0.00 C ATOM 462 CE LYS A 563 44.068 -1.644 14.919 1.00 0.00 C ATOM 463 NZ LYS A 563 44.210 -2.654 16.004 1.00 0.00 N ATOM 0 H LYS A 563 40.789 -6.210 13.984 1.00 0.00 H new ATOM 0 HA LYS A 563 40.165 -3.484 12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.008 -3.689 14.694 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.867 -4.751 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.907 -2.922 11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.086 -1.862 13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.815 -3.108 13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.585 -1.517 12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.851 -0.893 15.026 1.00 0.00 H new ATOM 0 HE3 LYS A 563 43.114 -1.129 15.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 43.584 -2.403 16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 43.949 -3.593 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 45.196 -2.672 16.335 1.00 0.00 H new ATOM 477 N CYS A 564 40.540 -3.916 10.642 1.00 0.00 N ATOM 478 CA CYS A 564 40.775 -3.996 9.208 1.00 0.00 C ATOM 479 C CYS A 564 42.272 -3.769 8.919 1.00 0.00 C ATOM 480 O CYS A 564 42.730 -2.637 9.110 1.00 0.00 O ATOM 481 CB CYS A 564 39.948 -2.880 8.546 1.00 0.00 C ATOM 482 SG CYS A 564 39.916 -3.097 6.737 1.00 0.00 S ATOM 0 H CYS A 564 39.991 -3.096 10.899 1.00 0.00 H new ATOM 0 HA CYS A 564 40.488 -4.974 8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.931 -2.892 8.938 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.374 -1.908 8.794 1.00 0.00 H new ATOM 0 HG CYS A 564 38.914 -2.436 6.238 1.00 0.00 H new ATOM 487 N PRO A 565 43.055 -4.765 8.457 1.00 0.00 N ATOM 488 CA PRO A 565 44.467 -4.567 8.127 1.00 0.00 C ATOM 489 C PRO A 565 44.685 -3.701 6.872 1.00 0.00 C ATOM 490 O PRO A 565 45.784 -3.175 6.682 1.00 0.00 O ATOM 491 CB PRO A 565 45.017 -5.986 7.933 1.00 0.00 C ATOM 492 CG PRO A 565 43.805 -6.751 7.407 1.00 0.00 C ATOM 493 CD PRO A 565 42.666 -6.149 8.222 1.00 0.00 C ATOM 0 HA PRO A 565 44.980 -4.018 8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.846 -6.005 7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.387 -6.408 8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.663 -6.602 6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.899 -7.825 7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.722 -6.206 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.528 -6.684 9.161 1.00 0.00 H new ATOM 501 N ILE A 566 43.660 -3.518 6.026 1.00 0.00 N ATOM 502 CA ILE A 566 43.740 -2.757 4.768 1.00 0.00 C ATOM 503 C ILE A 566 43.894 -1.252 5.046 1.00 0.00 C ATOM 504 O ILE A 566 44.812 -0.619 4.519 1.00 0.00 O ATOM 505 CB ILE A 566 42.500 -3.037 3.886 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.394 -4.537 3.505 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.541 -2.172 2.608 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.047 -4.947 2.891 1.00 0.00 C ATOM 0 H ILE A 566 42.732 -3.903 6.200 1.00 0.00 H new ATOM 0 HA ILE A 566 44.625 -3.086 4.223 1.00 0.00 H new ATOM 0 HB ILE A 566 41.618 -2.775 4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.188 -4.776 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.570 -5.138 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.662 -2.381 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.550 -1.117 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.441 -2.406 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.063 -6.011 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.246 -4.745 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.874 -4.377 1.978 1.00 0.00 H new ATOM 520 N CYS A 567 43.012 -0.692 5.884 1.00 0.00 N ATOM 521 CA CYS A 567 42.990 0.730 6.247 1.00 0.00 C ATOM 522 C CYS A 567 43.394 1.014 7.718 1.00 0.00 C ATOM 523 O CYS A 567 43.448 2.177 8.137 1.00 0.00 O ATOM 524 CB CYS A 567 41.619 1.305 5.863 1.00 0.00 C ATOM 525 SG CYS A 567 40.316 0.778 7.017 1.00 0.00 S ATOM 0 H CYS A 567 42.275 -1.230 6.340 1.00 0.00 H new ATOM 0 HA CYS A 567 43.765 1.246 5.681 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.673 2.394 5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 567 41.361 0.985 4.853 1.00 0.00 H new ATOM 0 HG CYS A 567 40.164 -0.511 6.940 1.00 0.00 H new ATOM 530 N LYS A 568 43.694 -0.046 8.483 1.00 0.00 N ATOM 531 CA LYS A 568 44.042 -0.026 9.916 1.00 0.00 C ATOM 532 C LYS A 568 42.921 0.546 10.810 1.00 0.00 C ATOM 533 O LYS A 568 43.188 1.368 11.688 1.00 0.00 O ATOM 534 CB LYS A 568 45.427 0.632 10.138 1.00 0.00 C ATOM 535 CG LYS A 568 46.575 0.051 9.293 1.00 0.00 C ATOM 536 CD LYS A 568 46.877 -1.426 9.601 1.00 0.00 C ATOM 537 CE LYS A 568 48.032 -1.983 8.752 1.00 0.00 C ATOM 538 NZ LYS A 568 49.347 -1.379 9.099 1.00 0.00 N ATOM 0 H LYS A 568 43.701 -0.992 8.101 1.00 0.00 H new ATOM 0 HA LYS A 568 44.132 -1.061 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.343 1.697 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.690 0.539 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.324 0.150 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 568 47.476 0.641 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.125 -1.530 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 568 45.981 -2.021 9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.087 -3.063 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.822 -1.803 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.095 -1.827 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.324 -0.359 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.542 -1.528 10.110 1.00 0.00 H new ATOM 552 N GLU A 569 41.672 0.116 10.593 1.00 0.00 N ATOM 553 CA GLU A 569 40.506 0.658 11.327 1.00 0.00 C ATOM 554 C GLU A 569 39.726 -0.403 12.120 1.00 0.00 C ATOM 555 O GLU A 569 39.470 -1.496 11.615 1.00 0.00 O ATOM 556 CB GLU A 569 39.537 1.365 10.383 1.00 0.00 C ATOM 557 CG GLU A 569 40.034 2.747 9.927 1.00 0.00 C ATOM 558 CD GLU A 569 39.063 3.503 8.994 1.00 0.00 C ATOM 559 OE1 GLU A 569 37.849 3.186 8.946 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.506 4.476 8.334 1.00 0.00 O ATOM 0 H GLU A 569 41.435 -0.608 9.914 1.00 0.00 H new ATOM 0 HA GLU A 569 40.929 1.365 12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.372 0.738 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.574 1.479 10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.222 3.360 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 569 40.988 2.625 9.415 1.00 0.00 H new ATOM 567 N THR A 570 39.299 -0.074 13.341 1.00 0.00 N ATOM 568 CA THR A 570 38.555 -1.000 14.214 1.00 0.00 C ATOM 569 C THR A 570 37.055 -1.013 13.899 1.00 0.00 C ATOM 570 O THR A 570 36.382 0.017 14.006 1.00 0.00 O ATOM 571 CB THR A 570 38.806 -0.692 15.701 1.00 0.00 C ATOM 572 OG1 THR A 570 40.180 -0.832 15.993 1.00 0.00 O ATOM 573 CG2 THR A 570 38.069 -1.639 16.653 1.00 0.00 C ATOM 0 H THR A 570 39.457 0.843 13.758 1.00 0.00 H new ATOM 0 HA THR A 570 38.935 -2.001 14.008 1.00 0.00 H new ATOM 0 HB THR A 570 38.442 0.324 15.854 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.335 -0.633 16.940 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.291 -1.364 17.684 1.00 0.00 H new ATOM 0 HG22 THR A 570 36.995 -1.565 16.481 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.395 -2.663 16.472 1.00 0.00 H new ATOM 581 N VAL A 571 36.512 -2.184 13.554 1.00 0.00 N ATOM 582 CA VAL A 571 35.065 -2.455 13.456 1.00 0.00 C ATOM 583 C VAL A 571 34.515 -2.905 14.810 1.00 0.00 C ATOM 584 O VAL A 571 35.184 -3.649 15.530 1.00 0.00 O ATOM 585 CB VAL A 571 34.708 -3.512 12.389 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.655 -2.889 11.001 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.633 -4.731 12.370 1.00 0.00 C ATOM 0 H VAL A 571 37.081 -2.999 13.327 1.00 0.00 H new ATOM 0 HA VAL A 571 34.605 -1.516 13.148 1.00 0.00 H new ATOM 0 HB VAL A 571 33.722 -3.878 12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.402 -3.655 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.898 -2.105 10.983 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.627 -2.461 10.757 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.309 -5.421 11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.655 -4.409 12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.595 -5.232 13.337 1.00 0.00 H new ATOM 597 N THR A 572 33.285 -2.499 15.139 1.00 0.00 N ATOM 598 CA THR A 572 32.601 -2.818 16.403 1.00 0.00 C ATOM 599 C THR A 572 31.244 -3.484 16.158 1.00 0.00 C ATOM 600 O THR A 572 30.536 -3.163 15.200 1.00 0.00 O ATOM 601 CB THR A 572 32.450 -1.585 17.312 1.00 0.00 C ATOM 602 OG1 THR A 572 31.746 -0.549 16.654 1.00 0.00 O ATOM 603 CG2 THR A 572 33.808 -1.031 17.738 1.00 0.00 C ATOM 0 H THR A 572 32.718 -1.922 14.517 1.00 0.00 H new ATOM 0 HA THR A 572 33.237 -3.531 16.927 1.00 0.00 H new ATOM 0 HB THR A 572 31.896 -1.917 18.190 1.00 0.00 H new ATOM 0 HG1 THR A 572 31.662 0.222 17.254 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.661 -0.161 18.379 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.358 -1.797 18.286 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.375 -0.739 16.854 1.00 0.00 H new ATOM 611 N GLY A 573 30.889 -4.451 17.008 1.00 0.00 N ATOM 612 CA GLY A 573 29.625 -5.183 16.942 1.00 0.00 C ATOM 613 C GLY A 573 28.426 -4.369 17.432 1.00 0.00 C ATOM 614 O GLY A 573 28.547 -3.574 18.369 1.00 0.00 O ATOM 0 H GLY A 573 31.487 -4.752 17.778 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.447 -5.494 15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.707 -6.091 17.540 1.00 0.00 H new ATOM 618 N VAL A 574 27.259 -4.580 16.815 1.00 0.00 N ATOM 619 CA VAL A 574 25.998 -3.864 17.093 1.00 0.00 C ATOM 620 C VAL A 574 24.812 -4.826 17.175 1.00 0.00 C ATOM 621 O VAL A 574 24.740 -5.783 16.405 1.00 0.00 O ATOM 622 CB VAL A 574 25.738 -2.769 16.028 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.459 -1.972 16.294 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.888 -1.757 15.941 1.00 0.00 C ATOM 0 H VAL A 574 27.157 -5.279 16.080 1.00 0.00 H new ATOM 0 HA VAL A 574 26.104 -3.382 18.065 1.00 0.00 H new ATOM 0 HB VAL A 574 25.643 -3.320 15.092 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.330 -1.220 15.515 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.603 -2.647 16.292 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.532 -1.481 17.264 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.659 -1.010 15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.014 -1.266 16.906 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.809 -2.275 15.674 1.00 0.00 H new ATOM 634 N TYR A 575 23.866 -4.600 18.091 1.00 0.00 N ATOM 635 CA TYR A 575 22.727 -5.495 18.302 1.00 0.00 C ATOM 636 C TYR A 575 21.710 -5.458 17.144 1.00 0.00 C ATOM 637 O TYR A 575 21.209 -4.400 16.755 1.00 0.00 O ATOM 638 CB TYR A 575 22.071 -5.165 19.653 1.00 0.00 C ATOM 639 CG TYR A 575 20.936 -6.085 20.049 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.620 -5.586 20.138 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.189 -7.434 20.349 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.573 -6.438 20.537 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.145 -8.290 20.749 1.00 0.00 C ATOM 644 CZ TYR A 575 18.828 -7.787 20.852 1.00 0.00 C ATOM 645 OH TYR A 575 17.809 -8.589 21.264 1.00 0.00 O ATOM 0 H TYR A 575 23.870 -3.788 18.709 1.00 0.00 H new ATOM 0 HA TYR A 575 23.099 -6.520 18.322 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.835 -5.198 20.430 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.696 -4.142 19.619 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.416 -4.552 19.901 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.195 -7.819 20.272 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.566 -6.054 20.602 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.349 -9.326 20.976 1.00 0.00 H new ATOM 0 HH TYR A 575 18.152 -9.490 21.440 1.00 0.00 H new ATOM 655 N ASP A 576 21.379 -6.631 16.609 1.00 0.00 N ATOM 656 CA ASP A 576 20.307 -6.891 15.656 1.00 0.00 C ATOM 657 C ASP A 576 19.031 -7.327 16.407 1.00 0.00 C ATOM 658 O ASP A 576 18.930 -8.465 16.875 1.00 0.00 O ATOM 659 CB ASP A 576 20.775 -7.972 14.661 1.00 0.00 C ATOM 660 CG ASP A 576 19.749 -8.323 13.572 1.00 0.00 C ATOM 661 OD1 ASP A 576 20.049 -9.204 12.734 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.642 -7.730 13.523 1.00 0.00 O ATOM 0 H ASP A 576 21.889 -7.482 16.847 1.00 0.00 H new ATOM 0 HA ASP A 576 20.068 -5.985 15.099 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.693 -7.633 14.181 1.00 0.00 H new ATOM 0 HB3 ASP A 576 21.021 -8.877 15.216 1.00 0.00 H new ATOM 667 N GLU A 577 18.071 -6.410 16.510 1.00 0.00 N ATOM 668 CA GLU A 577 16.799 -6.595 17.224 1.00 0.00 C ATOM 669 C GLU A 577 15.855 -7.634 16.587 1.00 0.00 C ATOM 670 O GLU A 577 15.030 -8.224 17.291 1.00 0.00 O ATOM 671 CB GLU A 577 16.050 -5.255 17.303 1.00 0.00 C ATOM 672 CG GLU A 577 16.827 -4.126 18.007 1.00 0.00 C ATOM 673 CD GLU A 577 16.045 -2.793 17.981 1.00 0.00 C ATOM 674 OE1 GLU A 577 14.883 -2.743 18.455 1.00 0.00 O ATOM 675 OE2 GLU A 577 16.599 -1.772 17.498 1.00 0.00 O ATOM 0 H GLU A 577 18.155 -5.486 16.087 1.00 0.00 H new ATOM 0 HA GLU A 577 17.072 -6.971 18.210 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.803 -4.932 16.292 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.107 -5.411 17.827 1.00 0.00 H new ATOM 0 HG2 GLU A 577 17.027 -4.411 19.040 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.793 -3.991 17.521 1.00 0.00 H new ATOM 682 N GLU A 578 15.941 -7.862 15.269 1.00 0.00 N ATOM 683 CA GLU A 578 15.078 -8.814 14.548 1.00 0.00 C ATOM 684 C GLU A 578 15.542 -10.265 14.747 1.00 0.00 C ATOM 685 O GLU A 578 14.722 -11.149 15.015 1.00 0.00 O ATOM 686 CB GLU A 578 15.057 -8.427 13.058 1.00 0.00 C ATOM 687 CG GLU A 578 14.123 -9.291 12.190 1.00 0.00 C ATOM 688 CD GLU A 578 12.633 -9.248 12.610 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.115 -8.163 12.982 1.00 0.00 O ATOM 690 OE2 GLU A 578 11.947 -10.296 12.525 1.00 0.00 O ATOM 0 H GLU A 578 16.615 -7.389 14.667 1.00 0.00 H new ATOM 0 HA GLU A 578 14.067 -8.760 14.952 1.00 0.00 H new ATOM 0 HB2 GLU A 578 14.753 -7.384 12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.070 -8.498 12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.205 -8.963 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.468 -10.324 12.226 1.00 0.00 H new ATOM 697 N SER A 579 16.849 -10.526 14.653 1.00 0.00 N ATOM 698 CA SER A 579 17.461 -11.843 14.873 1.00 0.00 C ATOM 699 C SER A 579 17.675 -12.146 16.372 1.00 0.00 C ATOM 700 O SER A 579 17.510 -13.291 16.812 1.00 0.00 O ATOM 701 CB SER A 579 18.784 -11.923 14.108 1.00 0.00 C ATOM 702 OG SER A 579 19.329 -13.228 14.167 1.00 0.00 O ATOM 0 H SER A 579 17.532 -9.807 14.415 1.00 0.00 H new ATOM 0 HA SER A 579 16.775 -12.602 14.497 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.624 -11.639 13.068 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.494 -11.210 14.527 1.00 0.00 H new ATOM 0 HG SER A 579 20.173 -13.253 13.669 1.00 0.00 H new ATOM 708 N GLY A 580 18.003 -11.126 17.172 1.00 0.00 N ATOM 709 CA GLY A 580 18.388 -11.265 18.580 1.00 0.00 C ATOM 710 C GLY A 580 19.869 -11.597 18.777 1.00 0.00 C ATOM 711 O GLY A 580 20.214 -12.336 19.699 1.00 0.00 O ATOM 0 H GLY A 580 18.008 -10.158 16.851 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.159 -10.337 19.105 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.784 -12.048 19.038 1.00 0.00 H new ATOM 715 N GLU A 581 20.735 -11.092 17.890 1.00 0.00 N ATOM 716 CA GLU A 581 22.178 -11.370 17.853 1.00 0.00 C ATOM 717 C GLU A 581 22.984 -10.058 17.766 1.00 0.00 C ATOM 718 O GLU A 581 22.404 -8.980 17.693 1.00 0.00 O ATOM 719 CB GLU A 581 22.487 -12.281 16.644 1.00 0.00 C ATOM 720 CG GLU A 581 21.869 -13.683 16.733 1.00 0.00 C ATOM 721 CD GLU A 581 22.357 -14.545 17.921 1.00 0.00 C ATOM 722 OE1 GLU A 581 23.502 -14.358 18.409 1.00 0.00 O ATOM 723 OE2 GLU A 581 21.611 -15.453 18.360 1.00 0.00 O ATOM 0 H GLU A 581 20.440 -10.455 17.150 1.00 0.00 H new ATOM 0 HA GLU A 581 22.470 -11.878 18.772 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.127 -11.795 15.737 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.568 -12.379 16.545 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.786 -13.581 16.800 1.00 0.00 H new ATOM 0 HG3 GLU A 581 22.083 -14.216 15.807 1.00 0.00 H new ATOM 730 N TRP A 582 24.317 -10.124 17.753 1.00 0.00 N ATOM 731 CA TRP A 582 25.188 -8.963 17.502 1.00 0.00 C ATOM 732 C TRP A 582 25.895 -9.113 16.153 1.00 0.00 C ATOM 733 O TRP A 582 26.227 -10.229 15.757 1.00 0.00 O ATOM 734 CB TRP A 582 26.182 -8.808 18.657 1.00 0.00 C ATOM 735 CG TRP A 582 25.551 -8.435 19.969 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.881 -9.272 20.795 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.499 -7.122 20.601 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.412 -8.569 21.889 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.769 -7.237 21.826 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.034 -5.853 20.298 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.547 -6.146 22.672 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.829 -4.744 21.146 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.075 -4.888 22.325 1.00 0.00 C ATOM 0 H TRP A 582 24.831 -10.990 17.917 1.00 0.00 H new ATOM 0 HA TRP A 582 24.587 -8.055 17.452 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.725 -9.745 18.782 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.915 -8.047 18.390 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.735 -10.329 20.625 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.870 -8.983 22.648 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.614 -5.727 19.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.977 -6.267 23.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.251 -3.784 20.890 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.901 -4.034 22.963 1.00 0.00 H new ATOM 754 N VAL A 583 26.124 -8.009 15.437 1.00 0.00 N ATOM 755 CA VAL A 583 26.639 -7.989 14.053 1.00 0.00 C ATOM 756 C VAL A 583 27.700 -6.910 13.819 1.00 0.00 C ATOM 757 O VAL A 583 27.562 -5.775 14.261 1.00 0.00 O ATOM 758 CB VAL A 583 25.512 -7.851 13.011 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.682 -9.136 12.915 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.561 -6.666 13.227 1.00 0.00 C ATOM 0 H VAL A 583 25.953 -7.075 15.809 1.00 0.00 H new ATOM 0 HA VAL A 583 27.120 -8.958 13.919 1.00 0.00 H new ATOM 0 HB VAL A 583 26.043 -7.659 12.079 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.895 -9.006 12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.327 -9.964 12.621 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.233 -9.352 13.884 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.805 -6.658 12.442 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.074 -6.762 14.198 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.127 -5.735 13.195 1.00 0.00 H new ATOM 770 N TRP A 584 28.751 -7.266 13.089 1.00 0.00 N ATOM 771 CA TRP A 584 29.783 -6.371 12.559 1.00 0.00 C ATOM 772 C TRP A 584 29.285 -5.856 11.204 1.00 0.00 C ATOM 773 O TRP A 584 29.305 -6.596 10.218 1.00 0.00 O ATOM 774 CB TRP A 584 31.108 -7.148 12.419 1.00 0.00 C ATOM 775 CG TRP A 584 32.097 -7.061 13.542 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.466 -5.933 14.183 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.937 -8.122 14.105 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.380 -6.230 15.173 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.738 -7.561 15.148 1.00 0.00 C ATOM 780 CE3 TRP A 584 33.117 -9.497 13.837 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.647 -8.329 15.896 1.00 0.00 C ATOM 782 CZ3 TRP A 584 34.036 -10.270 14.576 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.799 -9.692 15.604 1.00 0.00 C ATOM 0 H TRP A 584 28.919 -8.240 12.835 1.00 0.00 H new ATOM 0 HA TRP A 584 29.967 -5.527 13.224 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.864 -8.200 12.270 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.603 -6.803 11.511 1.00 0.00 H new ATOM 0 HD1 TRP A 584 32.100 -4.943 13.955 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.745 -5.550 15.840 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.541 -9.965 13.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 35.223 -7.874 16.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 34.155 -11.319 14.349 1.00 0.00 H new ATOM 0 HH2 TRP A 584 35.498 -10.294 16.166 1.00 0.00 H new ATOM 794 N LYS A 585 28.762 -4.625 11.161 1.00 0.00 N ATOM 795 CA LYS A 585 28.297 -3.965 9.927 1.00 0.00 C ATOM 796 C LYS A 585 29.475 -3.519 9.059 1.00 0.00 C ATOM 797 O LYS A 585 30.588 -3.338 9.558 1.00 0.00 O ATOM 798 CB LYS A 585 27.346 -2.813 10.266 1.00 0.00 C ATOM 799 CG LYS A 585 26.072 -3.321 10.966 1.00 0.00 C ATOM 800 CD LYS A 585 24.989 -2.240 11.117 1.00 0.00 C ATOM 801 CE LYS A 585 25.433 -1.094 12.047 1.00 0.00 C ATOM 802 NZ LYS A 585 24.353 -0.078 12.206 1.00 0.00 N ATOM 0 H LYS A 585 28.646 -4.047 11.994 1.00 0.00 H new ATOM 0 HA LYS A 585 27.735 -4.686 9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.856 -2.097 10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.074 -2.283 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.664 -4.158 10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.335 -3.702 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.744 -1.834 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.079 -2.693 11.511 1.00 0.00 H new ATOM 0 HE2 LYS A 585 25.702 -1.498 13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 585 26.326 -0.619 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 24.681 0.681 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 24.114 0.323 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.510 -0.529 12.615 1.00 0.00 H new ATOM 816 N ASN A 586 29.245 -3.349 7.757 1.00 0.00 N ATOM 817 CA ASN A 586 30.262 -2.998 6.752 1.00 0.00 C ATOM 818 C ASN A 586 31.451 -3.988 6.746 1.00 0.00 C ATOM 819 O ASN A 586 32.587 -3.586 6.508 1.00 0.00 O ATOM 820 CB ASN A 586 30.623 -1.508 6.945 1.00 0.00 C ATOM 821 CG ASN A 586 31.432 -0.804 5.854 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.815 0.347 6.024 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.716 -1.386 4.711 1.00 0.00 N ATOM 0 H ASN A 586 28.314 -3.454 7.354 1.00 0.00 H new ATOM 0 HA ASN A 586 29.870 -3.106 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.692 -0.956 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 586 31.179 -1.420 7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.241 -0.880 3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.412 -2.344 4.537 1.00 0.00 H new ATOM 830 N THR A 587 31.214 -5.280 7.030 1.00 0.00 N ATOM 831 CA THR A 587 32.265 -6.296 7.282 1.00 0.00 C ATOM 832 C THR A 587 32.053 -7.565 6.456 1.00 0.00 C ATOM 833 O THR A 587 30.917 -7.965 6.184 1.00 0.00 O ATOM 834 CB THR A 587 32.370 -6.639 8.780 1.00 0.00 C ATOM 835 OG1 THR A 587 32.588 -5.463 9.527 1.00 0.00 O ATOM 836 CG2 THR A 587 33.539 -7.558 9.140 1.00 0.00 C ATOM 0 H THR A 587 30.270 -5.661 7.093 1.00 0.00 H new ATOM 0 HA THR A 587 33.208 -5.851 6.964 1.00 0.00 H new ATOM 0 HB THR A 587 31.431 -7.143 9.009 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.801 -4.883 9.461 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.536 -7.747 10.214 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.437 -8.502 8.605 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.477 -7.081 8.858 1.00 0.00 H new ATOM 844 N ILE A 588 33.158 -8.211 6.077 1.00 0.00 N ATOM 845 CA ILE A 588 33.231 -9.457 5.311 1.00 0.00 C ATOM 846 C ILE A 588 34.286 -10.414 5.906 1.00 0.00 C ATOM 847 O ILE A 588 35.343 -9.985 6.380 1.00 0.00 O ATOM 848 CB ILE A 588 33.477 -9.153 3.811 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.580 -10.445 2.974 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.765 -8.344 3.576 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.453 -10.222 1.464 1.00 0.00 C ATOM 0 H ILE A 588 34.085 -7.855 6.312 1.00 0.00 H new ATOM 0 HA ILE A 588 32.274 -9.973 5.382 1.00 0.00 H new ATOM 0 HB ILE A 588 32.615 -8.565 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.537 -10.924 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 588 32.801 -11.137 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.889 -8.159 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.699 -7.393 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.621 -8.907 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.536 -11.178 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.485 -9.773 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.248 -9.557 1.126 1.00 0.00 H new ATOM 863 N GLU A 589 34.000 -11.716 5.861 1.00 0.00 N ATOM 864 CA GLU A 589 34.946 -12.802 6.149 1.00 0.00 C ATOM 865 C GLU A 589 35.372 -13.495 4.842 1.00 0.00 C ATOM 866 O GLU A 589 34.527 -13.812 3.996 1.00 0.00 O ATOM 867 CB GLU A 589 34.302 -13.814 7.113 1.00 0.00 C ATOM 868 CG GLU A 589 35.312 -14.845 7.646 1.00 0.00 C ATOM 869 CD GLU A 589 34.641 -16.019 8.390 1.00 0.00 C ATOM 870 OE1 GLU A 589 33.603 -15.827 9.070 1.00 0.00 O ATOM 871 OE2 GLU A 589 35.162 -17.162 8.310 1.00 0.00 O ATOM 0 H GLU A 589 33.071 -12.058 5.615 1.00 0.00 H new ATOM 0 HA GLU A 589 35.835 -12.385 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 589 33.857 -13.279 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.493 -14.334 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 589 35.897 -15.237 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.010 -14.347 8.319 1.00 0.00 H new ATOM 878 N VAL A 590 36.668 -13.775 4.679 1.00 0.00 N ATOM 879 CA VAL A 590 37.214 -14.546 3.551 1.00 0.00 C ATOM 880 C VAL A 590 38.430 -15.348 3.978 1.00 0.00 C ATOM 881 O VAL A 590 39.402 -14.815 4.506 1.00 0.00 O ATOM 882 CB VAL A 590 37.469 -13.651 2.320 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.444 -12.493 2.568 1.00 0.00 C ATOM 884 CG2 VAL A 590 37.985 -14.468 1.134 1.00 0.00 C ATOM 0 H VAL A 590 37.383 -13.468 5.338 1.00 0.00 H new ATOM 0 HA VAL A 590 36.464 -15.271 3.236 1.00 0.00 H new ATOM 0 HB VAL A 590 36.494 -13.217 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.565 -11.916 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.050 -11.848 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.411 -12.891 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.154 -13.808 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 590 38.921 -14.955 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.248 -15.224 0.865 1.00 0.00 H new ATOM 894 N ASN A 591 38.358 -16.665 3.763 1.00 0.00 N ATOM 895 CA ASN A 591 39.437 -17.625 4.002 1.00 0.00 C ATOM 896 C ASN A 591 40.072 -17.531 5.414 1.00 0.00 C ATOM 897 O ASN A 591 41.287 -17.680 5.580 1.00 0.00 O ATOM 898 CB ASN A 591 40.441 -17.549 2.837 1.00 0.00 C ATOM 899 CG ASN A 591 39.832 -17.828 1.466 1.00 0.00 C ATOM 900 OD1 ASN A 591 38.825 -18.511 1.315 1.00 0.00 O ATOM 901 ND2 ASN A 591 40.426 -17.301 0.419 1.00 0.00 N ATOM 0 H ASN A 591 37.512 -17.108 3.403 1.00 0.00 H new ATOM 0 HA ASN A 591 39.012 -18.629 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 591 40.893 -16.557 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 591 41.244 -18.263 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 591 40.049 -17.461 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 591 41.264 -16.732 0.541 1.00 0.00 H new ATOM 908 N GLY A 592 39.248 -17.250 6.431 1.00 0.00 N ATOM 909 CA GLY A 592 39.652 -17.102 7.835 1.00 0.00 C ATOM 910 C GLY A 592 40.065 -15.685 8.262 1.00 0.00 C ATOM 911 O GLY A 592 40.233 -15.443 9.459 1.00 0.00 O ATOM 0 H GLY A 592 38.246 -17.115 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 592 38.826 -17.426 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 592 40.486 -17.777 8.028 1.00 0.00 H new ATOM 915 N LYS A 593 40.212 -14.743 7.318 1.00 0.00 N ATOM 916 CA LYS A 593 40.527 -13.324 7.564 1.00 0.00 C ATOM 917 C LYS A 593 39.265 -12.459 7.593 1.00 0.00 C ATOM 918 O LYS A 593 38.265 -12.781 6.946 1.00 0.00 O ATOM 919 CB LYS A 593 41.492 -12.816 6.481 1.00 0.00 C ATOM 920 CG LYS A 593 42.895 -13.423 6.613 1.00 0.00 C ATOM 921 CD LYS A 593 43.828 -12.880 5.517 1.00 0.00 C ATOM 922 CE LYS A 593 45.283 -13.345 5.695 1.00 0.00 C ATOM 923 NZ LYS A 593 45.444 -14.806 5.483 1.00 0.00 N ATOM 0 H LYS A 593 40.111 -14.954 6.325 1.00 0.00 H new ATOM 0 HA LYS A 593 40.999 -13.247 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.087 -13.055 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.562 -11.730 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.306 -13.191 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 593 42.835 -14.509 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 593 43.464 -13.204 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 593 43.795 -11.791 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 593 45.921 -12.807 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.623 -13.087 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 46.442 -15.068 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 44.857 -15.323 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 45.146 -15.052 4.517 1.00 0.00 H new ATOM 937 N TYR A 594 39.343 -11.337 8.312 1.00 0.00 N ATOM 938 CA TYR A 594 38.299 -10.310 8.384 1.00 0.00 C ATOM 939 C TYR A 594 38.739 -8.992 7.749 1.00 0.00 C ATOM 940 O TYR A 594 39.889 -8.563 7.884 1.00 0.00 O ATOM 941 CB TYR A 594 37.859 -10.092 9.832 1.00 0.00 C ATOM 942 CG TYR A 594 37.042 -11.237 10.383 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.693 -11.355 9.998 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.618 -12.189 11.246 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.919 -12.437 10.458 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.844 -13.275 11.708 1.00 0.00 C ATOM 947 CZ TYR A 594 35.494 -13.405 11.316 1.00 0.00 C ATOM 948 OH TYR A 594 34.766 -14.468 11.757 1.00 0.00 O ATOM 0 H TYR A 594 40.160 -11.110 8.879 1.00 0.00 H new ATOM 0 HA TYR A 594 37.448 -10.674 7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.741 -9.950 10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.274 -9.174 9.893 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.251 -10.614 9.348 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.648 -12.088 11.553 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.886 -12.529 10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.286 -14.010 12.364 1.00 0.00 H new ATOM 0 HH TYR A 594 34.362 -14.928 10.992 1.00 0.00 H new ATOM 958 N PHE A 595 37.788 -8.339 7.085 1.00 0.00 N ATOM 959 CA PHE A 595 37.968 -7.129 6.277 1.00 0.00 C ATOM 960 C PHE A 595 36.699 -6.264 6.309 1.00 0.00 C ATOM 961 O PHE A 595 35.604 -6.768 6.566 1.00 0.00 O ATOM 962 CB PHE A 595 38.225 -7.558 4.820 1.00 0.00 C ATOM 963 CG PHE A 595 39.538 -8.242 4.468 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.522 -9.278 3.511 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.768 -7.836 5.019 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.717 -9.911 3.118 1.00 0.00 C ATOM 967 CE2 PHE A 595 41.962 -8.478 4.633 1.00 0.00 C ATOM 968 CZ PHE A 595 41.938 -9.511 3.680 1.00 0.00 C ATOM 0 H PHE A 595 36.818 -8.654 7.095 1.00 0.00 H new ATOM 0 HA PHE A 595 38.802 -6.552 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.417 -8.229 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.141 -6.668 4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.584 -9.589 3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.797 -7.031 5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 595 40.693 -10.704 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.901 -8.174 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 595 42.856 -9.995 3.382 1.00 0.00 H new ATOM 978 N HIS A 596 36.822 -4.969 6.003 1.00 0.00 N ATOM 979 CA HIS A 596 35.649 -4.138 5.701 1.00 0.00 C ATOM 980 C HIS A 596 35.135 -4.591 4.335 1.00 0.00 C ATOM 981 O HIS A 596 35.934 -4.826 3.421 1.00 0.00 O ATOM 982 CB HIS A 596 35.993 -2.655 5.585 1.00 0.00 C ATOM 983 CG HIS A 596 36.099 -1.842 6.848 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.222 -1.082 7.121 1.00 0.00 N ATOM 985 CD2 HIS A 596 35.123 -1.572 7.757 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.911 -0.352 8.205 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.656 -0.638 8.613 1.00 0.00 N ATOM 0 H HIS A 596 37.713 -4.475 5.958 1.00 0.00 H new ATOM 0 HA HIS A 596 34.924 -4.253 6.507 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.944 -2.575 5.058 1.00 0.00 H new ATOM 0 HB3 HIS A 596 35.238 -2.188 4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.133 -2.003 7.797 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.569 0.360 8.681 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.184 -0.230 9.420 1.00 0.00 H new ATOM 995 N SER A 597 33.822 -4.690 4.166 1.00 0.00 N ATOM 996 CA SER A 597 33.208 -5.085 2.894 1.00 0.00 C ATOM 997 C SER A 597 33.583 -4.128 1.755 1.00 0.00 C ATOM 998 O SER A 597 33.962 -4.575 0.675 1.00 0.00 O ATOM 999 CB SER A 597 31.694 -5.199 3.090 1.00 0.00 C ATOM 1000 OG SER A 597 31.143 -3.973 3.552 1.00 0.00 O ATOM 0 H SER A 597 33.147 -4.499 4.906 1.00 0.00 H new ATOM 0 HA SER A 597 33.596 -6.058 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.223 -5.481 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.476 -5.992 3.806 1.00 0.00 H new ATOM 0 HG SER A 597 30.337 -3.761 3.036 1.00 0.00 H new ATOM 1006 N THR A 598 33.568 -2.814 2.008 1.00 0.00 N ATOM 1007 CA THR A 598 33.936 -1.755 1.048 1.00 0.00 C ATOM 1008 C THR A 598 35.443 -1.686 0.752 1.00 0.00 C ATOM 1009 O THR A 598 35.825 -1.410 -0.386 1.00 0.00 O ATOM 1010 CB THR A 598 33.440 -0.383 1.541 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.742 -0.204 2.911 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.931 -0.215 1.385 1.00 0.00 C ATOM 0 H THR A 598 33.291 -2.441 2.916 1.00 0.00 H new ATOM 0 HA THR A 598 33.444 -2.018 0.112 1.00 0.00 H new ATOM 0 HB THR A 598 33.952 0.356 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.247 0.568 3.257 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.635 0.769 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.661 -0.310 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.418 -0.984 1.963 1.00 0.00 H new ATOM 1020 N CYS A 599 36.307 -1.989 1.728 1.00 0.00 N ATOM 1021 CA CYS A 599 37.755 -2.113 1.523 1.00 0.00 C ATOM 1022 C CYS A 599 38.084 -3.319 0.628 1.00 0.00 C ATOM 1023 O CYS A 599 38.783 -3.181 -0.374 1.00 0.00 O ATOM 1024 CB CYS A 599 38.460 -2.208 2.883 1.00 0.00 C ATOM 1025 SG CYS A 599 38.372 -0.615 3.772 1.00 0.00 S ATOM 0 H CYS A 599 36.018 -2.157 2.692 1.00 0.00 H new ATOM 0 HA CYS A 599 38.120 -1.225 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.997 -2.991 3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.502 -2.492 2.738 1.00 0.00 H new ATOM 0 HG CYS A 599 38.072 -0.830 5.019 1.00 0.00 H new ATOM 1030 N TYR A 600 37.572 -4.502 0.978 1.00 0.00 N ATOM 1031 CA TYR A 600 37.746 -5.718 0.181 1.00 0.00 C ATOM 1032 C TYR A 600 37.216 -5.545 -1.260 1.00 0.00 C ATOM 1033 O TYR A 600 37.891 -5.937 -2.214 1.00 0.00 O ATOM 1034 CB TYR A 600 37.071 -6.884 0.908 1.00 0.00 C ATOM 1035 CG TYR A 600 36.994 -8.148 0.072 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.096 -9.026 0.021 1.00 0.00 C ATOM 1037 CD2 TYR A 600 35.846 -8.410 -0.701 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.039 -10.181 -0.786 1.00 0.00 C ATOM 1039 CE2 TYR A 600 35.780 -9.571 -1.497 1.00 0.00 C ATOM 1040 CZ TYR A 600 36.876 -10.459 -1.540 1.00 0.00 C ATOM 1041 OH TYR A 600 36.808 -11.574 -2.314 1.00 0.00 O ATOM 0 H TYR A 600 37.023 -4.643 1.826 1.00 0.00 H new ATOM 0 HA TYR A 600 38.810 -5.931 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.619 -7.097 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.063 -6.587 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 600 38.983 -8.814 0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.015 -7.720 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 600 38.883 -10.853 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 600 34.891 -9.781 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 600 35.937 -11.609 -2.762 1.00 0.00 H new ATOM 1051 N HIS A 601 36.068 -4.878 -1.424 1.00 0.00 N ATOM 1052 CA HIS A 601 35.473 -4.539 -2.723 1.00 0.00 C ATOM 1053 C HIS A 601 36.405 -3.731 -3.643 1.00 0.00 C ATOM 1054 O HIS A 601 36.571 -4.097 -4.810 1.00 0.00 O ATOM 1055 CB HIS A 601 34.156 -3.804 -2.448 1.00 0.00 C ATOM 1056 CG HIS A 601 33.476 -3.176 -3.638 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.909 -3.866 -4.711 1.00 0.00 N ATOM 1058 CD2 HIS A 601 33.198 -1.848 -3.775 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.310 -2.934 -5.471 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.471 -1.712 -4.936 1.00 0.00 N ATOM 0 H HIS A 601 35.511 -4.550 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 601 35.292 -5.460 -3.278 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.461 -4.508 -1.990 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.348 -3.022 -1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.492 -1.056 -3.102 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.773 -3.139 -6.386 1.00 0.00 H new ATOM 0 HE2 HIS A 601 32.117 -0.837 -5.322 1.00 0.00 H new ATOM 1068 N GLU A 602 37.065 -2.678 -3.142 1.00 0.00 N ATOM 1069 CA GLU A 602 38.057 -1.925 -3.938 1.00 0.00 C ATOM 1070 C GLU A 602 39.430 -2.626 -4.060 1.00 0.00 C ATOM 1071 O GLU A 602 40.166 -2.373 -5.016 1.00 0.00 O ATOM 1072 CB GLU A 602 38.191 -0.478 -3.419 1.00 0.00 C ATOM 1073 CG GLU A 602 38.898 -0.309 -2.064 1.00 0.00 C ATOM 1074 CD GLU A 602 39.215 1.170 -1.738 1.00 0.00 C ATOM 1075 OE1 GLU A 602 40.334 1.458 -1.248 1.00 0.00 O ATOM 1076 OE2 GLU A 602 38.355 2.060 -1.955 1.00 0.00 O ATOM 0 H GLU A 602 36.934 -2.326 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 602 37.669 -1.893 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 602 38.733 0.105 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.193 -0.047 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 602 38.269 -0.724 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 602 39.825 -0.883 -2.068 1.00 0.00 H new ATOM 1083 N THR A 603 39.780 -3.514 -3.120 1.00 0.00 N ATOM 1084 CA THR A 603 41.048 -4.277 -3.105 1.00 0.00 C ATOM 1085 C THR A 603 41.044 -5.454 -4.093 1.00 0.00 C ATOM 1086 O THR A 603 42.099 -5.820 -4.613 1.00 0.00 O ATOM 1087 CB THR A 603 41.361 -4.777 -1.675 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.557 -3.665 -0.825 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.631 -5.622 -1.542 1.00 0.00 C ATOM 0 H THR A 603 39.178 -3.732 -2.326 1.00 0.00 H new ATOM 0 HA THR A 603 41.832 -3.593 -3.429 1.00 0.00 H new ATOM 0 HB THR A 603 40.506 -5.400 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.688 -3.317 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.761 -5.923 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.545 -6.510 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.493 -5.036 -1.861 1.00 0.00 H new