USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 775 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 531 SER OG : rot 90:sc= 0.531 USER MOD Set 1.2: A 584 ASN : amide:sc= 0.546 X(o=1.1,f=0.79!) USER MOD Set 2.1: A 575 TYR OH : rot 180:sc= 0.789 USER MOD Set 2.2: A 579 LYS NZ :NH3+ -148:sc= -0.159 (180deg=-2.96!) USER MOD Set 3.1: A 566 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 592 MET CE :methyl 150:sc= 0 (180deg=-0.516) USER MOD Set 4.1: A 553 MET CE :methyl -119:sc= -0.233 (180deg=-0.0343) USER MOD Set 4.2: A 556 THR OG1 : rot -77:sc= -0.0906 USER MOD Set 5.1: A 525 CYS SG : rot -80:sc= -2.17! USER MOD Set 5.2: A 526 ASN : amide:sc= 0.521 K(o=-1.7,f=-3.2) USER MOD Set 6.1: A 523 HIS : no HE2:sc= -0.804 K(o=-0.8,f=-1.9) USER MOD Set 6.2: A 558 GLN : amide:sc=-0.000464 X(o=-0.8,f=-0.46) USER MOD Single : A 532 CYS SG : rot 21:sc= -0.23 USER MOD Single : A 533 THR OG1 : rot -103:sc= 1.57 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 539 ASN :FLIP amide:sc= -1.31 F(o=-3.8!,f=-1.3) USER MOD Single : A 546 LYS NZ :NH3+ 173:sc= -0.0136 (180deg=-0.0441) USER MOD Single : A 548 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 549 ASN : amide:sc= -0.576 K(o=-0.58,f=-4.5!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ -168:sc= 0.773 (180deg=0.645) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -1.7! C(o=-1.7!,f=-5.5!) USER MOD Single : A 563 MET CE :methyl 179:sc= -5.62! (180deg=-5.75!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.091) USER MOD Single : A 572 MET CE :methyl 157:sc= -2.71 (180deg=-3.71) USER MOD Single : A 574 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 576 TYR OH : rot 143:sc= -0.262! USER MOD Single : A 577 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 587 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0462) USER MOD Single : A 593 SER OG : rot 100:sc= -2.64! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -166:sc= -0.0132 (180deg=-0.144) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 602 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0484) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= -0.346 K(o=-0.35,f=-3.6!) USER MOD Single : A 613 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 616 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 617 SER OG : rot 86:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 8.999 -1.852 7.998 1.00 0.46 N ATOM 322 CA ARG A 520 8.573 -2.405 6.728 1.00 0.40 C ATOM 323 C ARG A 520 7.926 -1.328 5.874 1.00 0.34 C ATOM 324 O ARG A 520 7.064 -0.588 6.342 1.00 0.36 O ATOM 325 CB ARG A 520 7.564 -3.528 6.978 1.00 0.44 C ATOM 326 CG ARG A 520 8.021 -4.527 8.028 1.00 0.56 C ATOM 327 CD ARG A 520 6.876 -5.392 8.525 1.00 0.64 C ATOM 328 NE ARG A 520 5.784 -4.595 9.083 1.00 0.93 N ATOM 329 CZ ARG A 520 5.746 -4.138 10.340 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.753 -4.377 11.172 1.00 2.13 N ATOM 331 NH2 ARG A 520 4.693 -3.447 10.764 1.00 2.22 N ATOM 0 HA ARG A 520 9.444 -2.797 6.203 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.616 -3.091 7.291 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.379 -4.055 6.042 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.801 -5.163 7.609 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.463 -3.993 8.869 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.497 -5.999 7.702 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.246 -6.081 9.285 1.00 0.64 H new ATOM 0 HE ARG A 520 4.998 -4.372 8.472 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.561 -4.912 10.854 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.718 -4.026 12.129 1.00 2.13 H new ATOM 0 HH21 ARG A 520 3.914 -3.265 10.131 1.00 2.22 H new ATOM 0 HH22 ARG A 520 4.664 -3.099 11.722 1.00 2.22 H new ATOM 345 N VAL A 521 8.350 -1.244 4.626 1.00 0.29 N ATOM 346 CA VAL A 521 7.679 -0.410 3.646 1.00 0.24 C ATOM 347 C VAL A 521 7.147 -1.259 2.503 1.00 0.21 C ATOM 348 O VAL A 521 7.903 -2.016 1.881 1.00 0.23 O ATOM 349 CB VAL A 521 8.595 0.689 3.077 1.00 0.26 C ATOM 350 CG1 VAL A 521 7.851 1.535 2.059 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.164 1.555 4.182 1.00 0.32 C ATOM 0 H VAL A 521 9.161 -1.747 4.266 1.00 0.29 H new ATOM 0 HA VAL A 521 6.855 0.079 4.166 1.00 0.24 H new ATOM 0 HB VAL A 521 9.429 0.201 2.573 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.517 2.305 1.670 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.510 0.902 1.240 1.00 0.27 H new ATOM 0 HG13 VAL A 521 6.991 2.006 2.536 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.807 2.322 3.749 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.349 2.030 4.728 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.746 0.937 4.865 1.00 0.32 H new ATOM 361 N VAL A 522 5.859 -1.152 2.244 1.00 0.20 N ATOM 362 CA VAL A 522 5.260 -1.753 1.066 1.00 0.18 C ATOM 363 C VAL A 522 4.622 -0.635 0.255 1.00 0.18 C ATOM 364 O VAL A 522 3.782 0.096 0.772 1.00 0.19 O ATOM 365 CB VAL A 522 4.195 -2.803 1.448 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.697 -3.555 0.226 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.739 -3.766 2.490 1.00 0.22 C ATOM 0 H VAL A 522 5.200 -0.650 2.839 1.00 0.20 H new ATOM 0 HA VAL A 522 6.027 -2.269 0.487 1.00 0.18 H new ATOM 0 HB VAL A 522 3.346 -2.274 1.880 1.00 0.20 H new ATOM 0 HG11 VAL A 522 2.948 -4.287 0.529 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.253 -2.851 -0.478 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.532 -4.067 -0.251 1.00 0.21 H new ATOM 0 HG21 VAL A 522 3.972 -4.498 2.745 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.612 -4.280 2.089 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.023 -3.212 3.384 1.00 0.22 H new ATOM 377 N HIS A 523 5.026 -0.459 -0.992 1.00 0.18 N ATOM 378 CA HIS A 523 4.569 0.683 -1.767 1.00 0.18 C ATOM 379 C HIS A 523 3.545 0.257 -2.807 1.00 0.17 C ATOM 380 O HIS A 523 3.739 -0.720 -3.530 1.00 0.18 O ATOM 381 CB HIS A 523 5.772 1.358 -2.442 1.00 0.20 C ATOM 382 CG HIS A 523 5.427 2.529 -3.319 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.251 2.418 -4.679 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.255 3.840 -3.027 1.00 0.30 C ATOM 385 CE1 HIS A 523 4.990 3.607 -5.185 1.00 0.44 C ATOM 386 NE2 HIS A 523 4.986 4.490 -4.206 1.00 0.37 N ATOM 0 H HIS A 523 5.663 -1.085 -1.486 1.00 0.18 H new ATOM 0 HA HIS A 523 4.087 1.394 -1.096 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.464 1.692 -1.669 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.298 0.615 -3.042 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.313 1.551 -5.213 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.318 4.291 -2.048 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.810 3.822 -6.228 1.00 0.44 H new ATOM 395 N ILE A 524 2.465 1.010 -2.881 1.00 0.16 N ATOM 396 CA ILE A 524 1.418 0.766 -3.847 1.00 0.16 C ATOM 397 C ILE A 524 1.420 1.895 -4.865 1.00 0.17 C ATOM 398 O ILE A 524 1.638 3.052 -4.515 1.00 0.19 O ATOM 399 CB ILE A 524 0.040 0.666 -3.159 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.098 -0.394 -2.054 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.051 0.338 -4.174 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.224 -0.652 -1.369 1.00 0.18 C ATOM 0 H ILE A 524 2.291 1.809 -2.271 1.00 0.16 H new ATOM 0 HA ILE A 524 1.606 -0.185 -4.346 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.207 1.629 -2.713 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.460 -1.329 -2.482 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.827 -0.082 -1.306 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.013 0.273 -3.666 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.092 1.122 -4.930 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.828 -0.616 -4.653 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -1.093 -1.415 -0.601 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.581 0.269 -0.908 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.953 -0.997 -2.103 1.00 0.18 H new ATOM 414 N CYS A 525 1.218 1.569 -6.122 1.00 0.17 N ATOM 415 CA CYS A 525 1.315 2.562 -7.170 1.00 0.18 C ATOM 416 C CYS A 525 0.147 2.456 -8.137 1.00 0.15 C ATOM 417 O CYS A 525 -0.547 1.437 -8.177 1.00 0.16 O ATOM 418 CB CYS A 525 2.637 2.391 -7.923 1.00 0.29 C ATOM 419 SG CYS A 525 2.995 3.702 -9.116 1.00 1.17 S ATOM 0 H CYS A 525 0.987 0.629 -6.443 1.00 0.17 H new ATOM 0 HA CYS A 525 1.283 3.550 -6.710 1.00 0.18 H new ATOM 0 HB2 CYS A 525 3.450 2.345 -7.198 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.621 1.435 -8.446 1.00 0.29 H new ATOM 0 HG CYS A 525 2.325 3.488 -10.210 1.00 1.17 H new ATOM 425 N ASN A 526 -0.059 3.543 -8.880 1.00 0.15 N ATOM 426 CA ASN A 526 -1.015 3.612 -9.992 1.00 0.16 C ATOM 427 C ASN A 526 -2.412 3.930 -9.496 1.00 0.15 C ATOM 428 O ASN A 526 -3.403 3.579 -10.131 1.00 0.18 O ATOM 429 CB ASN A 526 -1.036 2.324 -10.833 1.00 0.19 C ATOM 430 CG ASN A 526 0.297 2.011 -11.486 1.00 0.21 C ATOM 431 OD1 ASN A 526 1.097 2.905 -11.760 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.540 0.737 -11.752 1.00 0.26 N ATOM 0 H ASN A 526 0.442 4.418 -8.725 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.674 4.421 -10.638 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.326 1.488 -10.197 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.799 2.416 -11.606 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.416 0.468 -12.200 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.149 0.025 -11.509 1.00 0.26 H new ATOM 439 N LEU A 527 -2.483 4.646 -8.385 1.00 0.15 N ATOM 440 CA LEU A 527 -3.761 5.045 -7.825 1.00 0.17 C ATOM 441 C LEU A 527 -4.251 6.280 -8.564 1.00 0.22 C ATOM 442 O LEU A 527 -3.523 7.260 -8.673 1.00 0.25 O ATOM 443 CB LEU A 527 -3.621 5.347 -6.329 1.00 0.15 C ATOM 444 CG LEU A 527 -3.373 4.134 -5.432 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.013 4.582 -4.026 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.603 3.243 -5.395 1.00 0.21 C ATOM 0 H LEU A 527 -1.671 4.962 -7.855 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.479 4.233 -7.940 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.800 6.051 -6.194 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.528 5.847 -5.991 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.540 3.565 -5.844 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.839 3.708 -3.399 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.109 5.191 -4.058 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.832 5.170 -3.611 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.411 2.384 -4.752 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.449 3.807 -5.003 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.833 2.898 -6.403 1.00 0.21 H new ATOM 458 N PRO A 528 -5.467 6.254 -9.119 1.00 0.26 N ATOM 459 CA PRO A 528 -5.986 7.394 -9.865 1.00 0.33 C ATOM 460 C PRO A 528 -6.274 8.577 -8.950 1.00 0.34 C ATOM 461 O PRO A 528 -6.844 8.416 -7.869 1.00 0.32 O ATOM 462 CB PRO A 528 -7.285 6.874 -10.497 1.00 0.38 C ATOM 463 CG PRO A 528 -7.294 5.397 -10.269 1.00 0.37 C ATOM 464 CD PRO A 528 -6.418 5.137 -9.078 1.00 0.29 C ATOM 0 HA PRO A 528 -5.271 7.756 -10.603 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.156 7.344 -10.041 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.320 7.104 -11.562 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.308 5.040 -10.089 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.921 4.868 -11.146 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.990 5.128 -8.150 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.913 4.174 -9.151 1.00 0.29 H new ATOM 472 N GLU A 529 -5.867 9.758 -9.383 1.00 0.41 N ATOM 473 CA GLU A 529 -6.130 10.983 -8.646 1.00 0.46 C ATOM 474 C GLU A 529 -7.630 11.243 -8.617 1.00 0.47 C ATOM 475 O GLU A 529 -8.311 11.090 -9.635 1.00 0.53 O ATOM 476 CB GLU A 529 -5.395 12.142 -9.309 1.00 0.57 C ATOM 477 CG GLU A 529 -5.564 13.478 -8.610 1.00 0.66 C ATOM 478 CD GLU A 529 -5.061 14.625 -9.457 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.762 15.006 -10.415 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.958 15.145 -9.178 1.00 1.41 O ATOM 0 H GLU A 529 -5.348 9.895 -10.250 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.772 10.885 -7.621 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.333 11.903 -9.355 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.745 12.237 -10.337 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.617 13.634 -8.375 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.025 13.463 -7.663 1.00 0.66 H new ATOM 487 N GLY A 530 -8.152 11.625 -7.464 1.00 0.46 N ATOM 488 CA GLY A 530 -9.587 11.738 -7.324 1.00 0.48 C ATOM 489 C GLY A 530 -10.204 10.399 -6.980 1.00 0.43 C ATOM 490 O GLY A 530 -11.424 10.263 -6.898 1.00 0.46 O ATOM 0 H GLY A 530 -7.614 11.857 -6.629 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.824 12.463 -6.545 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.018 12.114 -8.252 1.00 0.48 H new ATOM 494 N SER A 531 -9.348 9.408 -6.779 1.00 0.37 N ATOM 495 CA SER A 531 -9.775 8.041 -6.528 1.00 0.35 C ATOM 496 C SER A 531 -8.856 7.397 -5.492 1.00 0.28 C ATOM 497 O SER A 531 -8.984 6.218 -5.166 1.00 0.30 O ATOM 498 CB SER A 531 -9.730 7.241 -7.827 1.00 0.40 C ATOM 499 OG SER A 531 -10.472 7.884 -8.849 1.00 1.08 O ATOM 0 H SER A 531 -8.335 9.530 -6.786 1.00 0.37 H new ATOM 0 HA SER A 531 -10.796 8.047 -6.147 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.695 7.119 -8.147 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.131 6.242 -7.656 1.00 0.40 H new ATOM 0 HG SER A 531 -9.887 8.496 -9.343 1.00 1.08 H new ATOM 505 N CYS A 532 -7.932 8.193 -4.969 1.00 0.24 N ATOM 506 CA CYS A 532 -6.968 7.714 -3.995 1.00 0.20 C ATOM 507 C CYS A 532 -7.538 7.875 -2.598 1.00 0.18 C ATOM 508 O CYS A 532 -7.316 8.894 -1.946 1.00 0.21 O ATOM 509 CB CYS A 532 -5.659 8.501 -4.096 1.00 0.21 C ATOM 510 SG CYS A 532 -4.845 8.407 -5.705 1.00 0.25 S ATOM 0 H CYS A 532 -7.832 9.180 -5.207 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.764 6.663 -4.198 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.861 9.547 -3.867 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.971 8.135 -3.334 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.714 8.072 -6.612 1.00 0.25 H new ATOM 516 N THR A 533 -8.283 6.890 -2.136 1.00 0.17 N ATOM 517 CA THR A 533 -8.855 6.977 -0.813 1.00 0.18 C ATOM 518 C THR A 533 -8.122 6.020 0.101 1.00 0.17 C ATOM 519 O THR A 533 -7.585 5.008 -0.353 1.00 0.18 O ATOM 520 CB THR A 533 -10.354 6.623 -0.807 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.520 5.216 -1.024 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.101 7.396 -1.884 1.00 0.28 C ATOM 0 H THR A 533 -8.502 6.036 -2.649 1.00 0.17 H new ATOM 0 HA THR A 533 -8.752 8.006 -0.469 1.00 0.18 H new ATOM 0 HB THR A 533 -10.766 6.897 0.164 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.796 5.058 -1.951 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.157 7.128 -1.858 1.00 0.28 H new ATOM 0 HG22 THR A 533 -10.994 8.466 -1.704 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.688 7.149 -2.862 1.00 0.28 H new ATOM 530 N GLU A 534 -8.104 6.333 1.383 1.00 0.19 N ATOM 531 CA GLU A 534 -7.453 5.482 2.359 1.00 0.20 C ATOM 532 C GLU A 534 -8.169 4.145 2.432 1.00 0.19 C ATOM 533 O GLU A 534 -7.554 3.103 2.663 1.00 0.20 O ATOM 534 CB GLU A 534 -7.371 6.167 3.725 1.00 0.23 C ATOM 535 CG GLU A 534 -6.581 7.486 3.712 1.00 0.27 C ATOM 536 CD GLU A 534 -7.383 8.651 3.165 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.507 8.882 3.662 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.895 9.345 2.246 1.00 1.64 O ATOM 0 H GLU A 534 -8.534 7.172 1.772 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.426 5.299 2.042 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.381 6.363 4.084 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.907 5.484 4.436 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.257 7.719 4.726 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -5.680 7.358 3.111 1.00 0.27 H new ATOM 545 N ASN A 535 -9.477 4.191 2.220 1.00 0.20 N ATOM 546 CA ASN A 535 -10.302 2.996 2.267 1.00 0.22 C ATOM 547 C ASN A 535 -9.907 1.998 1.188 1.00 0.21 C ATOM 548 O ASN A 535 -9.668 0.844 1.496 1.00 0.21 O ATOM 549 CB ASN A 535 -11.784 3.352 2.119 1.00 0.27 C ATOM 550 CG ASN A 535 -12.384 3.901 3.397 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.328 5.102 3.659 1.00 1.82 O ATOM 552 ND2 ASN A 535 -12.968 3.026 4.198 1.00 1.38 N ATOM 0 H ASN A 535 -9.990 5.048 2.013 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.139 2.532 3.240 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.899 4.088 1.323 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.338 2.464 1.815 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.394 3.338 5.071 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.993 2.039 3.943 1.00 1.38 H new ATOM 559 N ASP A 536 -9.753 2.449 -0.055 1.00 0.21 N ATOM 560 CA ASP A 536 -9.529 1.523 -1.175 1.00 0.22 C ATOM 561 C ASP A 536 -8.175 0.837 -1.050 1.00 0.17 C ATOM 562 O ASP A 536 -8.049 -0.381 -1.195 1.00 0.16 O ATOM 563 CB ASP A 536 -9.594 2.262 -2.521 1.00 0.27 C ATOM 564 CG ASP A 536 -11.009 2.553 -2.982 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.672 1.627 -3.495 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.465 3.709 -2.852 1.00 0.61 O ATOM 0 H ASP A 536 -9.778 3.435 -0.315 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.319 0.772 -1.139 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.047 3.201 -2.438 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.089 1.664 -3.280 1.00 0.27 H new ATOM 571 N VAL A 537 -7.178 1.647 -0.752 1.00 0.15 N ATOM 572 CA VAL A 537 -5.798 1.187 -0.665 1.00 0.13 C ATOM 573 C VAL A 537 -5.651 0.142 0.449 1.00 0.12 C ATOM 574 O VAL A 537 -5.108 -0.957 0.248 1.00 0.13 O ATOM 575 CB VAL A 537 -4.855 2.386 -0.415 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.394 1.975 -0.472 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.133 3.480 -1.429 1.00 0.13 C ATOM 0 H VAL A 537 -7.297 2.642 -0.563 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.523 0.719 -1.610 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.050 2.762 0.589 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.764 2.846 -0.291 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.198 1.221 0.290 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.170 1.563 -1.456 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.465 4.322 -1.248 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.966 3.095 -2.435 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.167 3.810 -1.334 1.00 0.13 H new ATOM 587 N ILE A 538 -6.176 0.472 1.613 1.00 0.12 N ATOM 588 CA ILE A 538 -6.164 -0.442 2.738 1.00 0.12 C ATOM 589 C ILE A 538 -7.089 -1.640 2.500 1.00 0.12 C ATOM 590 O ILE A 538 -6.803 -2.747 2.956 1.00 0.12 O ATOM 591 CB ILE A 538 -6.524 0.260 4.054 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.485 1.321 4.395 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.615 -0.755 5.175 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.771 2.022 5.700 1.00 0.23 C ATOM 0 H ILE A 538 -6.618 1.371 1.804 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.142 -0.811 2.827 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.492 0.747 3.934 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.501 0.856 4.446 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.448 2.058 3.593 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.871 -0.248 6.105 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.385 -1.490 4.939 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.655 -1.259 5.289 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.998 2.766 5.890 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.742 2.514 5.644 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.780 1.293 6.510 1.00 0.23 H new ATOM 606 N ASN A 539 -8.211 -1.422 1.805 1.00 0.12 N ATOM 607 CA ASN A 539 -9.118 -2.523 1.474 1.00 0.14 C ATOM 608 C ASN A 539 -8.397 -3.577 0.657 1.00 0.15 C ATOM 609 O ASN A 539 -8.814 -4.728 0.628 1.00 0.17 O ATOM 610 CB ASN A 539 -10.378 -2.081 0.705 1.00 0.17 C ATOM 611 CG ASN A 539 -11.405 -1.337 1.548 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.416 -1.579 2.849 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -12.187 -0.541 1.025 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.509 -0.507 1.466 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.445 -2.928 2.432 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -10.076 -1.442 -0.125 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.852 -2.962 0.272 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.152 -0.378 0.019 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.870 -0.045 1.598 1.00 0.21 H new ATOM 620 N LEU A 540 -7.353 -3.182 -0.051 1.00 0.15 N ATOM 621 CA LEU A 540 -6.515 -4.149 -0.736 1.00 0.17 C ATOM 622 C LEU A 540 -5.624 -4.872 0.267 1.00 0.16 C ATOM 623 O LEU A 540 -5.429 -6.084 0.176 1.00 0.19 O ATOM 624 CB LEU A 540 -5.632 -3.447 -1.760 1.00 0.19 C ATOM 625 CG LEU A 540 -6.368 -2.713 -2.873 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.370 -2.026 -3.782 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.251 -3.668 -3.661 1.00 0.24 C ATOM 0 H LEU A 540 -7.068 -2.209 -0.166 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.161 -4.868 -1.240 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.997 -2.732 -1.236 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.972 -4.187 -2.212 1.00 0.19 H new ATOM 0 HG LEU A 540 -7.015 -1.957 -2.427 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.902 -1.502 -4.576 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.784 -1.311 -3.205 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.705 -2.770 -4.220 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.766 -3.120 -4.450 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.635 -4.450 -4.105 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.985 -4.119 -2.994 1.00 0.24 H new ATOM 639 N GLY A 541 -5.084 -4.112 1.219 1.00 0.14 N ATOM 640 CA GLY A 541 -4.201 -4.688 2.229 1.00 0.16 C ATOM 641 C GLY A 541 -4.857 -5.666 3.198 1.00 0.15 C ATOM 642 O GLY A 541 -4.388 -6.788 3.369 1.00 0.19 O ATOM 0 H GLY A 541 -5.240 -3.108 1.311 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.384 -5.200 1.721 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.759 -3.875 2.805 1.00 0.16 H new ATOM 646 N LEU A 542 -5.953 -5.257 3.808 1.00 0.13 N ATOM 647 CA LEU A 542 -6.530 -5.994 4.940 1.00 0.14 C ATOM 648 C LEU A 542 -6.936 -7.448 4.640 1.00 0.16 C ATOM 649 O LEU A 542 -6.694 -8.325 5.467 1.00 0.20 O ATOM 650 CB LEU A 542 -7.706 -5.223 5.519 1.00 0.13 C ATOM 651 CG LEU A 542 -7.315 -3.976 6.303 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.540 -3.146 6.620 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.584 -4.365 7.580 1.00 0.16 C ATOM 0 H LEU A 542 -6.470 -4.418 3.546 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.725 -6.074 5.671 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.371 -4.933 4.705 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.273 -5.886 6.173 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.644 -3.374 5.691 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.244 -2.259 7.180 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.025 -2.844 5.692 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.235 -3.737 7.217 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.310 -3.465 8.131 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.235 -4.985 8.197 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.683 -4.924 7.328 1.00 0.16 H new ATOM 665 N PRO A 543 -7.577 -7.752 3.501 1.00 0.17 N ATOM 666 CA PRO A 543 -7.990 -9.127 3.191 1.00 0.19 C ATOM 667 C PRO A 543 -6.821 -10.116 3.107 1.00 0.20 C ATOM 668 O PRO A 543 -7.021 -11.321 3.266 1.00 0.23 O ATOM 669 CB PRO A 543 -8.695 -8.988 1.837 1.00 0.22 C ATOM 670 CG PRO A 543 -9.136 -7.568 1.815 1.00 0.21 C ATOM 671 CD PRO A 543 -8.006 -6.820 2.452 1.00 0.17 C ATOM 0 HA PRO A 543 -8.621 -9.540 3.978 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -8.021 -9.211 1.010 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.540 -9.671 1.753 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.317 -7.223 0.797 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -10.065 -7.431 2.368 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -7.206 -6.608 1.743 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.330 -5.864 2.863 1.00 0.17 H new ATOM 679 N PHE A 544 -5.607 -9.624 2.857 1.00 0.20 N ATOM 680 CA PHE A 544 -4.437 -10.498 2.797 1.00 0.22 C ATOM 681 C PHE A 544 -3.581 -10.402 4.059 1.00 0.22 C ATOM 682 O PHE A 544 -2.739 -11.268 4.307 1.00 0.28 O ATOM 683 CB PHE A 544 -3.570 -10.144 1.590 1.00 0.23 C ATOM 684 CG PHE A 544 -4.238 -10.362 0.270 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.307 -11.628 -0.278 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.789 -9.303 -0.426 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.916 -11.838 -1.497 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.402 -9.506 -1.646 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.465 -10.775 -2.183 1.00 0.33 C ATOM 0 H PHE A 544 -5.410 -8.636 2.695 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.811 -11.518 2.709 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -3.272 -9.098 1.665 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.657 -10.739 1.625 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.879 -12.464 0.255 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.740 -8.307 -0.011 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.963 -12.833 -1.914 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.832 -8.672 -2.180 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.943 -10.936 -3.138 1.00 0.33 H new ATOM 699 N GLY A 545 -3.791 -9.365 4.857 1.00 0.19 N ATOM 700 CA GLY A 545 -2.960 -9.161 6.027 1.00 0.21 C ATOM 701 C GLY A 545 -3.458 -8.029 6.897 1.00 0.21 C ATOM 702 O GLY A 545 -4.457 -7.394 6.586 1.00 0.44 O ATOM 0 H GLY A 545 -4.518 -8.664 4.717 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.930 -10.080 6.613 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.938 -8.951 5.711 1.00 0.21 H new ATOM 706 N LYS A 546 -2.757 -7.762 7.983 1.00 0.27 N ATOM 707 CA LYS A 546 -3.186 -6.734 8.911 1.00 0.25 C ATOM 708 C LYS A 546 -2.465 -5.425 8.605 1.00 0.20 C ATOM 709 O LYS A 546 -1.237 -5.376 8.588 1.00 0.24 O ATOM 710 CB LYS A 546 -2.935 -7.173 10.357 1.00 0.35 C ATOM 711 CG LYS A 546 -3.638 -6.305 11.389 1.00 0.41 C ATOM 712 CD LYS A 546 -3.536 -6.899 12.787 1.00 0.92 C ATOM 713 CE LYS A 546 -2.137 -6.763 13.369 1.00 1.60 C ATOM 714 NZ LYS A 546 -1.827 -5.361 13.756 1.00 2.07 N ATOM 0 H LYS A 546 -1.894 -8.239 8.243 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.258 -6.576 8.792 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.266 -8.205 10.477 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.863 -7.157 10.551 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.200 -5.307 11.385 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.687 -6.193 11.117 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.251 -6.403 13.444 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.813 -7.953 12.753 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -2.043 -7.409 14.242 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -1.405 -7.107 12.638 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -0.915 -5.332 14.255 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -1.774 -4.769 12.903 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -2.575 -5.000 14.382 1.00 2.07 H new ATOM 728 N VAL A 547 -3.229 -4.377 8.348 1.00 0.16 N ATOM 729 CA VAL A 547 -2.668 -3.068 8.055 1.00 0.15 C ATOM 730 C VAL A 547 -2.484 -2.260 9.334 1.00 0.18 C ATOM 731 O VAL A 547 -3.454 -1.949 10.027 1.00 0.20 O ATOM 732 CB VAL A 547 -3.580 -2.306 7.068 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.112 -0.876 6.852 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.644 -3.046 5.743 1.00 0.14 C ATOM 0 H VAL A 547 -4.248 -4.408 8.336 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.690 -3.209 7.595 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.577 -2.260 7.505 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.781 -0.376 6.151 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -3.119 -0.343 7.803 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.100 -0.882 6.446 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.289 -2.502 5.053 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.642 -3.122 5.320 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.047 -4.046 5.904 1.00 0.14 H new ATOM 744 N THR A 548 -1.236 -1.959 9.664 1.00 0.20 N ATOM 745 CA THR A 548 -0.933 -1.160 10.843 1.00 0.23 C ATOM 746 C THR A 548 -0.757 0.316 10.508 1.00 0.23 C ATOM 747 O THR A 548 -1.220 1.189 11.243 1.00 0.27 O ATOM 748 CB THR A 548 0.351 -1.687 11.513 1.00 0.27 C ATOM 749 OG1 THR A 548 1.380 -1.851 10.525 1.00 0.26 O ATOM 750 CG2 THR A 548 0.104 -3.012 12.211 1.00 0.31 C ATOM 0 H THR A 548 -0.418 -2.256 9.132 1.00 0.20 H new ATOM 0 HA THR A 548 -1.780 -1.249 11.523 1.00 0.23 H new ATOM 0 HB THR A 548 0.666 -0.959 12.261 1.00 0.27 H new ATOM 0 HG1 THR A 548 1.941 -1.048 10.500 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.029 -3.357 12.674 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.659 -2.882 12.978 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.235 -3.749 11.483 1.00 0.31 H new ATOM 758 N ASN A 549 -0.146 0.582 9.363 1.00 0.20 N ATOM 759 CA ASN A 549 0.129 1.951 8.934 1.00 0.21 C ATOM 760 C ASN A 549 -0.086 2.073 7.439 1.00 0.18 C ATOM 761 O ASN A 549 -0.083 1.080 6.719 1.00 0.20 O ATOM 762 CB ASN A 549 1.574 2.386 9.263 1.00 0.26 C ATOM 763 CG ASN A 549 1.834 2.680 10.736 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.272 2.059 11.633 1.00 1.26 O ATOM 765 ND2 ASN A 549 2.706 3.641 10.994 1.00 0.81 N ATOM 0 H ASN A 549 0.171 -0.134 8.709 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.556 2.602 9.477 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.257 1.602 8.938 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.811 3.277 8.682 1.00 0.26 H new ATOM 0 HD21 ASN A 549 2.927 3.883 11.960 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.157 4.140 10.227 1.00 0.81 H new ATOM 772 N TYR A 550 -0.303 3.292 6.983 1.00 0.17 N ATOM 773 CA TYR A 550 -0.538 3.559 5.579 1.00 0.17 C ATOM 774 C TYR A 550 -0.308 5.033 5.294 1.00 0.17 C ATOM 775 O TYR A 550 -0.463 5.871 6.181 1.00 0.17 O ATOM 776 CB TYR A 550 -1.965 3.159 5.204 1.00 0.17 C ATOM 777 CG TYR A 550 -3.023 3.871 6.016 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.888 4.764 5.412 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.153 3.659 7.387 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.851 5.424 6.144 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.115 4.318 8.123 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.962 5.200 7.494 1.00 0.25 C ATOM 783 OH TYR A 550 -5.931 5.858 8.212 1.00 0.31 O ATOM 0 H TYR A 550 -0.321 4.123 7.575 1.00 0.17 H new ATOM 0 HA TYR A 550 0.156 2.972 4.978 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.127 3.369 4.147 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.079 2.083 5.336 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.808 4.947 4.351 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.489 2.966 7.882 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.519 6.118 5.655 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.203 4.143 9.185 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.879 5.590 9.153 1.00 0.31 H new ATOM 793 N ILE A 551 0.070 5.344 4.067 1.00 0.18 N ATOM 794 CA ILE A 551 0.333 6.711 3.652 1.00 0.16 C ATOM 795 C ILE A 551 -0.129 6.853 2.223 1.00 0.17 C ATOM 796 O ILE A 551 0.275 6.067 1.376 1.00 0.20 O ATOM 797 CB ILE A 551 1.839 7.041 3.683 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.466 6.649 5.024 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.065 8.519 3.401 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.974 6.762 5.049 1.00 0.20 C ATOM 0 H ILE A 551 0.204 4.654 3.328 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.187 7.384 4.334 1.00 0.16 H new ATOM 0 HB ILE A 551 2.327 6.457 2.902 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.050 7.282 5.808 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.184 5.623 5.260 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.133 8.735 3.427 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.668 8.766 2.416 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.556 9.116 4.158 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.345 6.468 6.031 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.401 6.107 4.289 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.265 7.792 4.845 1.00 0.20 H new ATOM 812 N LEU A 552 -0.961 7.817 1.921 1.00 0.16 N ATOM 813 CA LEU A 552 -1.411 7.950 0.556 1.00 0.19 C ATOM 814 C LEU A 552 -0.752 9.141 -0.099 1.00 0.19 C ATOM 815 O LEU A 552 -0.809 10.244 0.430 1.00 0.26 O ATOM 816 CB LEU A 552 -2.922 8.071 0.462 1.00 0.27 C ATOM 817 CG LEU A 552 -3.715 6.874 0.951 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.143 7.014 0.493 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.117 5.567 0.468 1.00 0.42 C ATOM 0 H LEU A 552 -1.332 8.503 2.578 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.122 7.041 0.029 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.233 8.946 1.033 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.188 8.258 -0.578 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.679 6.851 2.040 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.722 6.158 0.840 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.569 7.930 0.903 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.173 7.056 -0.596 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.714 4.734 0.840 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.110 5.551 -0.622 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.096 5.475 0.838 1.00 0.42 H new ATOM 831 N MET A 553 -0.169 8.938 -1.266 1.00 0.18 N ATOM 832 CA MET A 553 0.513 10.029 -1.937 1.00 0.26 C ATOM 833 C MET A 553 -0.364 10.509 -3.080 1.00 0.26 C ATOM 834 O MET A 553 -0.153 10.155 -4.242 1.00 0.25 O ATOM 835 CB MET A 553 1.868 9.562 -2.492 1.00 0.35 C ATOM 836 CG MET A 553 2.691 8.739 -1.514 1.00 0.56 C ATOM 837 SD MET A 553 4.000 7.795 -2.329 1.00 1.03 S ATOM 838 CE MET A 553 5.022 9.110 -2.987 1.00 0.80 C ATOM 0 H MET A 553 -0.153 8.046 -1.761 1.00 0.18 H new ATOM 0 HA MET A 553 0.694 10.836 -1.227 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.695 8.971 -3.392 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.446 10.436 -2.791 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.135 9.402 -0.771 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.034 8.054 -0.978 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.062 9.031 -4.073 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.598 10.075 -2.708 1.00 0.80 H new ATOM 0 HE3 MET A 553 6.030 9.026 -2.580 1.00 0.80 H new ATOM 848 N LYS A 554 -1.351 11.318 -2.725 1.00 0.32 N ATOM 849 CA LYS A 554 -2.250 11.926 -3.699 1.00 0.37 C ATOM 850 C LYS A 554 -1.509 12.693 -4.793 1.00 0.38 C ATOM 851 O LYS A 554 -2.002 12.804 -5.915 1.00 0.40 O ATOM 852 CB LYS A 554 -3.245 12.850 -2.985 1.00 0.47 C ATOM 853 CG LYS A 554 -3.799 12.287 -1.674 1.00 0.43 C ATOM 854 CD LYS A 554 -4.381 10.889 -1.838 1.00 0.37 C ATOM 855 CE LYS A 554 -5.003 10.380 -0.541 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.330 10.989 -0.256 1.00 1.03 N ATOM 0 H LYS A 554 -1.552 11.572 -1.758 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.785 11.114 -4.192 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.756 13.802 -2.780 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.077 13.058 -3.658 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.004 12.261 -0.929 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.571 12.956 -1.293 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.136 10.899 -2.624 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.596 10.204 -2.159 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.111 9.297 -0.597 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.327 10.591 0.287 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.611 10.768 0.721 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.271 12.021 -0.375 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -7.037 10.605 -0.915 1.00 1.03 H new ATOM 870 N SER A 555 -0.336 13.217 -4.475 1.00 0.40 N ATOM 871 CA SER A 555 0.403 14.051 -5.406 1.00 0.44 C ATOM 872 C SER A 555 0.947 13.245 -6.590 1.00 0.38 C ATOM 873 O SER A 555 0.852 13.678 -7.740 1.00 0.38 O ATOM 874 CB SER A 555 1.541 14.746 -4.661 1.00 0.51 C ATOM 875 OG SER A 555 2.378 13.796 -4.028 1.00 0.50 O ATOM 0 H SER A 555 0.125 13.078 -3.576 1.00 0.40 H new ATOM 0 HA SER A 555 -0.279 14.796 -5.817 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.126 15.346 -5.358 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.131 15.430 -3.918 1.00 0.51 H new ATOM 0 HG SER A 555 3.102 14.260 -3.558 1.00 0.50 H new ATOM 881 N THR A 556 1.519 12.079 -6.308 1.00 0.34 N ATOM 882 CA THR A 556 2.181 11.282 -7.335 1.00 0.32 C ATOM 883 C THR A 556 1.330 10.105 -7.801 1.00 0.27 C ATOM 884 O THR A 556 1.803 9.256 -8.562 1.00 0.28 O ATOM 885 CB THR A 556 3.525 10.740 -6.820 1.00 0.36 C ATOM 886 OG1 THR A 556 3.318 10.011 -5.605 1.00 0.34 O ATOM 887 CG2 THR A 556 4.513 11.866 -6.571 1.00 0.45 C ATOM 0 H THR A 556 1.538 11.665 -5.376 1.00 0.34 H new ATOM 0 HA THR A 556 2.340 11.949 -8.182 1.00 0.32 H new ATOM 0 HB THR A 556 3.939 10.081 -7.583 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.192 10.640 -4.864 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.453 11.451 -6.208 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.690 12.407 -7.501 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.106 12.549 -5.826 1.00 0.45 H new ATOM 895 N ASN A 557 0.077 10.061 -7.348 1.00 0.26 N ATOM 896 CA ASN A 557 -0.832 8.955 -7.670 1.00 0.26 C ATOM 897 C ASN A 557 -0.247 7.624 -7.187 1.00 0.21 C ATOM 898 O ASN A 557 -0.346 6.590 -7.856 1.00 0.25 O ATOM 899 CB ASN A 557 -1.106 8.906 -9.181 1.00 0.31 C ATOM 900 CG ASN A 557 -1.823 10.145 -9.682 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.572 10.786 -8.947 1.00 1.09 O ATOM 902 ND2 ASN A 557 -1.599 10.494 -10.939 1.00 1.28 N ATOM 0 H ASN A 557 -0.335 10.781 -6.754 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.777 9.124 -7.154 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.162 8.796 -9.715 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.706 8.025 -9.410 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -2.054 11.320 -11.328 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -0.971 9.937 -11.519 1.00 1.28 H new ATOM 909 N GLN A 558 0.356 7.674 -6.007 1.00 0.17 N ATOM 910 CA GLN A 558 1.039 6.528 -5.413 1.00 0.17 C ATOM 911 C GLN A 558 0.715 6.455 -3.930 1.00 0.16 C ATOM 912 O GLN A 558 0.086 7.363 -3.404 1.00 0.20 O ATOM 913 CB GLN A 558 2.548 6.645 -5.618 1.00 0.22 C ATOM 914 CG GLN A 558 2.962 6.552 -7.074 1.00 0.29 C ATOM 915 CD GLN A 558 4.444 6.757 -7.268 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.241 6.452 -6.384 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.824 7.266 -8.426 1.00 0.84 N ATOM 0 H GLN A 558 0.386 8.515 -5.430 1.00 0.17 H new ATOM 0 HA GLN A 558 0.695 5.616 -5.901 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.891 7.596 -5.209 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.047 5.857 -5.054 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.679 5.575 -7.467 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.417 7.298 -7.652 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.127 7.505 -9.131 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.814 7.420 -8.615 1.00 0.84 H new ATOM 926 N ALA A 559 1.071 5.365 -3.262 1.00 0.15 N ATOM 927 CA ALA A 559 0.799 5.247 -1.838 1.00 0.14 C ATOM 928 C ALA A 559 1.699 4.222 -1.147 1.00 0.14 C ATOM 929 O ALA A 559 2.389 3.435 -1.792 1.00 0.16 O ATOM 930 CB ALA A 559 -0.655 4.908 -1.619 1.00 0.15 C ATOM 0 H ALA A 559 1.542 4.561 -3.677 1.00 0.15 H new ATOM 0 HA ALA A 559 1.022 6.213 -1.385 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.851 4.821 -0.550 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.280 5.696 -2.040 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.886 3.962 -2.108 1.00 0.15 H new ATOM 936 N PHE A 560 1.691 4.266 0.176 1.00 0.14 N ATOM 937 CA PHE A 560 2.413 3.307 1.004 1.00 0.15 C ATOM 938 C PHE A 560 1.441 2.533 1.881 1.00 0.14 C ATOM 939 O PHE A 560 0.463 3.090 2.383 1.00 0.16 O ATOM 940 CB PHE A 560 3.425 4.003 1.919 1.00 0.16 C ATOM 941 CG PHE A 560 4.537 4.714 1.213 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.613 4.006 0.704 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.525 6.092 1.086 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.653 4.661 0.078 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.559 6.750 0.457 1.00 0.35 C ATOM 946 CZ PHE A 560 6.625 6.034 -0.045 1.00 0.30 C ATOM 0 H PHE A 560 1.182 4.970 0.710 1.00 0.14 H new ATOM 0 HA PHE A 560 2.941 2.634 0.328 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.893 4.722 2.542 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.857 3.259 2.588 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.638 2.930 0.798 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.696 6.658 1.484 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.488 4.099 -0.315 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.535 7.825 0.357 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.438 6.549 -0.535 1.00 0.30 H new ATOM 956 N LEU A 561 1.724 1.257 2.067 1.00 0.14 N ATOM 957 CA LEU A 561 0.894 0.394 2.882 1.00 0.14 C ATOM 958 C LEU A 561 1.772 -0.443 3.809 1.00 0.16 C ATOM 959 O LEU A 561 2.623 -1.203 3.355 1.00 0.18 O ATOM 960 CB LEU A 561 0.053 -0.510 1.971 1.00 0.15 C ATOM 961 CG LEU A 561 -0.922 -1.454 2.673 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.963 -0.662 3.448 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.590 -2.371 1.654 1.00 0.20 C ATOM 0 H LEU A 561 2.534 0.792 1.658 1.00 0.14 H new ATOM 0 HA LEU A 561 0.225 0.998 3.495 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.514 0.123 1.289 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.731 -1.108 1.362 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.367 -2.070 3.381 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.650 -1.349 3.942 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.467 -0.044 4.197 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.520 -0.024 2.762 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.283 -3.040 2.165 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.136 -1.770 0.927 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.830 -2.960 1.141 1.00 0.20 H new ATOM 975 N GLU A 562 1.576 -0.281 5.106 1.00 0.17 N ATOM 976 CA GLU A 562 2.337 -1.045 6.082 1.00 0.20 C ATOM 977 C GLU A 562 1.515 -2.213 6.592 1.00 0.18 C ATOM 978 O GLU A 562 0.411 -2.043 7.113 1.00 0.18 O ATOM 979 CB GLU A 562 2.774 -0.176 7.258 1.00 0.27 C ATOM 980 CG GLU A 562 3.778 -0.865 8.169 1.00 0.57 C ATOM 981 CD GLU A 562 4.101 -0.057 9.407 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.949 0.852 9.325 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.521 -0.344 10.473 1.00 1.21 O ATOM 0 H GLU A 562 0.900 0.369 5.507 1.00 0.17 H new ATOM 0 HA GLU A 562 3.231 -1.417 5.582 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.212 0.747 6.877 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.896 0.104 7.841 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.383 -1.836 8.468 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.697 -1.052 7.613 1.00 0.57 H new ATOM 990 N MET A 563 2.067 -3.397 6.429 1.00 0.25 N ATOM 991 CA MET A 563 1.404 -4.617 6.834 1.00 0.23 C ATOM 992 C MET A 563 2.095 -5.177 8.066 1.00 0.27 C ATOM 993 O MET A 563 3.223 -4.782 8.354 1.00 0.39 O ATOM 994 CB MET A 563 1.441 -5.609 5.674 1.00 0.25 C ATOM 995 CG MET A 563 0.962 -4.989 4.373 1.00 0.25 C ATOM 996 SD MET A 563 1.441 -5.929 2.918 1.00 0.31 S ATOM 997 CE MET A 563 0.852 -4.849 1.612 1.00 0.25 C ATOM 0 H MET A 563 2.987 -3.540 6.012 1.00 0.25 H new ATOM 0 HA MET A 563 0.362 -4.423 7.089 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.459 -5.977 5.546 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.818 -6.470 5.915 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.124 -4.901 4.399 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.362 -3.978 4.292 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.091 -5.286 0.643 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.228 -4.728 1.699 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.334 -3.875 1.700 1.00 0.25 H new ATOM 1007 N ALA A 564 1.441 -6.070 8.794 1.00 0.28 N ATOM 1008 CA ALA A 564 1.973 -6.538 10.071 1.00 0.33 C ATOM 1009 C ALA A 564 3.330 -7.211 9.906 1.00 0.27 C ATOM 1010 O ALA A 564 4.267 -6.937 10.660 1.00 0.40 O ATOM 1011 CB ALA A 564 0.992 -7.487 10.740 1.00 0.50 C ATOM 0 H ALA A 564 0.548 -6.484 8.528 1.00 0.28 H new ATOM 0 HA ALA A 564 2.113 -5.664 10.707 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.404 -7.826 11.690 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.049 -6.970 10.917 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.818 -8.346 10.093 1.00 0.50 H new ATOM 1017 N TYR A 565 3.442 -8.068 8.903 1.00 0.27 N ATOM 1018 CA TYR A 565 4.659 -8.835 8.699 1.00 0.37 C ATOM 1019 C TYR A 565 5.034 -8.907 7.223 1.00 0.33 C ATOM 1020 O TYR A 565 4.206 -8.642 6.349 1.00 0.29 O ATOM 1021 CB TYR A 565 4.508 -10.243 9.274 1.00 0.55 C ATOM 1022 CG TYR A 565 4.461 -10.280 10.784 1.00 0.68 C ATOM 1023 CD1 TYR A 565 3.261 -10.456 11.461 1.00 0.75 C ATOM 1024 CD2 TYR A 565 5.621 -10.130 11.532 1.00 0.86 C ATOM 1025 CE1 TYR A 565 3.220 -10.480 12.842 1.00 0.90 C ATOM 1026 CE2 TYR A 565 5.587 -10.155 12.911 1.00 1.00 C ATOM 1027 CZ TYR A 565 4.386 -10.329 13.561 1.00 0.98 C ATOM 1028 OH TYR A 565 4.354 -10.346 14.937 1.00 1.15 O ATOM 0 H TYR A 565 2.707 -8.249 8.220 1.00 0.27 H new ATOM 0 HA TYR A 565 5.464 -8.322 9.225 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.596 -10.691 8.880 1.00 0.55 H new ATOM 0 HB3 TYR A 565 5.340 -10.858 8.930 1.00 0.55 H new ATOM 0 HD1 TYR A 565 2.346 -10.576 10.900 1.00 0.75 H new ATOM 0 HD2 TYR A 565 6.565 -9.992 11.026 1.00 0.86 H new ATOM 0 HE1 TYR A 565 2.279 -10.616 13.355 1.00 0.90 H new ATOM 0 HE2 TYR A 565 6.499 -10.039 13.478 1.00 1.00 H new ATOM 0 HH TYR A 565 5.262 -10.228 15.287 1.00 1.15 H new ATOM 1038 N THR A 566 6.285 -9.269 6.963 1.00 0.39 N ATOM 1039 CA THR A 566 6.796 -9.373 5.598 1.00 0.40 C ATOM 1040 C THR A 566 6.007 -10.420 4.805 1.00 0.36 C ATOM 1041 O THR A 566 5.852 -10.312 3.586 1.00 0.35 O ATOM 1042 CB THR A 566 8.306 -9.721 5.576 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.828 -9.576 4.249 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.560 -11.142 6.063 1.00 0.57 C ATOM 0 H THR A 566 6.970 -9.497 7.684 1.00 0.39 H new ATOM 0 HA THR A 566 6.668 -8.397 5.129 1.00 0.40 H new ATOM 0 HB THR A 566 8.811 -9.029 6.250 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.783 -9.797 4.247 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.629 -11.351 6.034 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.198 -11.246 7.086 1.00 0.57 H new ATOM 0 HG23 THR A 566 8.035 -11.847 5.418 1.00 0.57 H new ATOM 1052 N GLU A 567 5.473 -11.407 5.520 1.00 0.38 N ATOM 1053 CA GLU A 567 4.700 -12.481 4.915 1.00 0.40 C ATOM 1054 C GLU A 567 3.451 -11.942 4.227 1.00 0.31 C ATOM 1055 O GLU A 567 3.012 -12.476 3.209 1.00 0.32 O ATOM 1056 CB GLU A 567 4.319 -13.504 5.981 1.00 0.49 C ATOM 1057 CG GLU A 567 3.550 -12.914 7.152 1.00 0.55 C ATOM 1058 CD GLU A 567 3.437 -13.884 8.305 1.00 0.71 C ATOM 1059 OE1 GLU A 567 4.458 -14.122 8.981 1.00 0.89 O ATOM 1060 OE2 GLU A 567 2.333 -14.412 8.539 1.00 0.84 O ATOM 0 H GLU A 567 5.565 -11.482 6.533 1.00 0.38 H new ATOM 0 HA GLU A 567 5.316 -12.963 4.156 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.717 -14.287 5.521 1.00 0.49 H new ATOM 0 HB3 GLU A 567 5.226 -13.978 6.356 1.00 0.49 H new ATOM 0 HG2 GLU A 567 4.048 -12.005 7.491 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.552 -12.627 6.822 1.00 0.55 H new ATOM 1067 N ALA A 568 2.888 -10.877 4.784 1.00 0.26 N ATOM 1068 CA ALA A 568 1.703 -10.264 4.216 1.00 0.24 C ATOM 1069 C ALA A 568 2.079 -9.506 2.958 1.00 0.21 C ATOM 1070 O ALA A 568 1.396 -9.583 1.940 1.00 0.22 O ATOM 1071 CB ALA A 568 1.044 -9.335 5.223 1.00 0.25 C ATOM 0 H ALA A 568 3.236 -10.423 5.628 1.00 0.26 H new ATOM 0 HA ALA A 568 0.986 -11.045 3.962 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.157 -8.885 4.777 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.757 -9.903 6.108 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.745 -8.550 5.507 1.00 0.25 H new ATOM 1077 N ALA A 569 3.205 -8.809 3.031 1.00 0.19 N ATOM 1078 CA ALA A 569 3.661 -7.966 1.942 1.00 0.21 C ATOM 1079 C ALA A 569 4.001 -8.787 0.712 1.00 0.22 C ATOM 1080 O ALA A 569 3.596 -8.450 -0.398 1.00 0.24 O ATOM 1081 CB ALA A 569 4.868 -7.159 2.389 1.00 0.23 C ATOM 0 H ALA A 569 3.822 -8.814 3.843 1.00 0.19 H new ATOM 0 HA ALA A 569 2.852 -7.287 1.673 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.207 -6.527 1.568 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.593 -6.534 3.239 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.670 -7.836 2.681 1.00 0.23 H new ATOM 1087 N GLN A 570 4.716 -9.883 0.917 1.00 0.24 N ATOM 1088 CA GLN A 570 5.130 -10.727 -0.190 1.00 0.28 C ATOM 1089 C GLN A 570 3.921 -11.411 -0.817 1.00 0.27 C ATOM 1090 O GLN A 570 3.843 -11.550 -2.034 1.00 0.29 O ATOM 1091 CB GLN A 570 6.166 -11.762 0.264 1.00 0.34 C ATOM 1092 CG GLN A 570 5.668 -12.700 1.351 1.00 0.38 C ATOM 1093 CD GLN A 570 6.731 -13.678 1.807 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.485 -13.404 2.736 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.791 -14.828 1.160 1.00 1.04 N ATOM 0 H GLN A 570 5.020 -10.206 1.835 1.00 0.24 H new ATOM 0 HA GLN A 570 5.599 -10.095 -0.944 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.475 -12.353 -0.598 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.051 -11.240 0.627 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.329 -12.113 2.205 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.805 -13.253 0.981 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.145 -15.016 0.393 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.483 -15.528 1.427 1.00 1.04 H new ATOM 1104 N ALA A 571 2.964 -11.797 0.022 1.00 0.26 N ATOM 1105 CA ALA A 571 1.756 -12.462 -0.443 1.00 0.27 C ATOM 1106 C ALA A 571 0.961 -11.553 -1.369 1.00 0.25 C ATOM 1107 O ALA A 571 0.502 -11.976 -2.431 1.00 0.27 O ATOM 1108 CB ALA A 571 0.901 -12.883 0.740 1.00 0.31 C ATOM 0 H ALA A 571 3.005 -11.659 1.032 1.00 0.26 H new ATOM 0 HA ALA A 571 2.048 -13.351 -1.003 1.00 0.27 H new ATOM 0 HB1 ALA A 571 0.000 -13.379 0.379 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.466 -13.569 1.371 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.623 -12.003 1.320 1.00 0.31 H new ATOM 1114 N MET A 572 0.816 -10.296 -0.969 1.00 0.25 N ATOM 1115 CA MET A 572 0.050 -9.339 -1.750 1.00 0.28 C ATOM 1116 C MET A 572 0.771 -9.011 -3.048 1.00 0.24 C ATOM 1117 O MET A 572 0.144 -8.920 -4.098 1.00 0.24 O ATOM 1118 CB MET A 572 -0.225 -8.064 -0.952 1.00 0.37 C ATOM 1119 CG MET A 572 -0.832 -8.338 0.410 1.00 0.47 C ATOM 1120 SD MET A 572 -1.557 -6.882 1.174 1.00 0.36 S ATOM 1121 CE MET A 572 -1.536 -7.382 2.895 1.00 0.33 C ATOM 0 H MET A 572 1.218 -9.918 -0.111 1.00 0.25 H new ATOM 0 HA MET A 572 -0.910 -9.796 -1.990 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.707 -7.514 -0.824 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.898 -7.423 -1.522 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.598 -9.107 0.310 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.062 -8.740 1.069 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.556 -6.497 3.531 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.409 -8.000 3.105 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.630 -7.954 3.097 1.00 0.33 H new ATOM 1131 N VAL A 573 2.090 -8.859 -2.985 1.00 0.24 N ATOM 1132 CA VAL A 573 2.876 -8.601 -4.186 1.00 0.27 C ATOM 1133 C VAL A 573 2.705 -9.746 -5.180 1.00 0.25 C ATOM 1134 O VAL A 573 2.442 -9.524 -6.358 1.00 0.28 O ATOM 1135 CB VAL A 573 4.378 -8.409 -3.864 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.194 -8.253 -5.140 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.579 -7.203 -2.961 1.00 0.32 C ATOM 0 H VAL A 573 2.633 -8.909 -2.123 1.00 0.24 H new ATOM 0 HA VAL A 573 2.508 -7.674 -4.625 1.00 0.27 H new ATOM 0 HB VAL A 573 4.727 -9.300 -3.342 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.245 -8.120 -4.885 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.080 -9.145 -5.756 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.841 -7.383 -5.693 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.641 -7.083 -2.745 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.207 -6.308 -3.461 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.034 -7.351 -2.029 1.00 0.32 H new ATOM 1147 N GLN A 574 2.809 -10.973 -4.684 1.00 0.23 N ATOM 1148 CA GLN A 574 2.643 -12.157 -5.520 1.00 0.25 C ATOM 1149 C GLN A 574 1.244 -12.200 -6.130 1.00 0.23 C ATOM 1150 O GLN A 574 1.066 -12.597 -7.284 1.00 0.26 O ATOM 1151 CB GLN A 574 2.886 -13.421 -4.695 1.00 0.28 C ATOM 1152 CG GLN A 574 4.319 -13.566 -4.206 1.00 0.33 C ATOM 1153 CD GLN A 574 4.500 -14.721 -3.240 1.00 1.30 C ATOM 1154 OE1 GLN A 574 3.704 -15.766 -3.398 1.00 2.04 O flip ATOM 1155 NE2 GLN A 574 5.356 -14.675 -2.355 1.00 2.09 N flip ATOM 0 H GLN A 574 3.008 -11.175 -3.704 1.00 0.23 H new ATOM 0 HA GLN A 574 3.373 -12.108 -6.328 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.217 -13.417 -3.835 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.627 -14.292 -5.297 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.977 -13.709 -5.063 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.627 -12.641 -3.719 1.00 0.33 H new ATOM 0 HE21 GLN A 574 5.952 -13.852 -2.264 1.00 2.09 H new ATOM 0 HE22 GLN A 574 5.469 -15.460 -1.713 1.00 2.09 H new ATOM 1164 N TYR A 575 0.254 -11.795 -5.347 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.121 -11.792 -5.819 1.00 0.20 C ATOM 1166 C TYR A 575 -1.337 -10.703 -6.869 1.00 0.20 C ATOM 1167 O TYR A 575 -1.784 -10.989 -7.973 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.105 -11.599 -4.659 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.552 -11.586 -5.100 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.192 -10.393 -5.414 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.273 -12.767 -5.215 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.509 -10.378 -5.830 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.590 -12.760 -5.629 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.201 -11.563 -5.936 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.511 -11.552 -6.354 1.00 0.48 O ATOM 0 H TYR A 575 0.377 -11.467 -4.389 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.310 -12.763 -6.277 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.961 -12.398 -3.932 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.878 -10.662 -4.151 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.651 -9.462 -5.331 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.796 -13.706 -4.977 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.993 -9.443 -6.070 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.138 -13.687 -5.712 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.855 -12.469 -6.376 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.987 -9.467 -6.525 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.284 -8.314 -7.375 1.00 0.25 C ATOM 1187 C TYR A 576 -0.381 -8.222 -8.603 1.00 0.30 C ATOM 1188 O TYR A 576 -0.668 -7.466 -9.527 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.230 -7.017 -6.562 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.341 -6.917 -5.537 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.647 -6.647 -5.924 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.088 -7.101 -4.185 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.665 -6.564 -4.992 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.099 -7.017 -3.248 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.386 -6.749 -3.658 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.398 -6.672 -2.729 1.00 0.35 O ATOM 0 H TYR A 576 -0.496 -9.236 -5.661 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.297 -8.459 -7.751 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.267 -6.952 -6.055 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.291 -6.166 -7.240 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.871 -6.499 -6.970 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.081 -7.314 -3.859 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.676 -6.355 -5.310 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.882 -7.161 -2.200 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.248 -7.338 -2.026 1.00 0.35 H new ATOM 1206 N GLN A 577 0.708 -8.973 -8.619 1.00 0.31 N ATOM 1207 CA GLN A 577 1.531 -9.040 -9.819 1.00 0.38 C ATOM 1208 C GLN A 577 0.838 -9.891 -10.876 1.00 0.37 C ATOM 1209 O GLN A 577 0.844 -9.554 -12.060 1.00 0.42 O ATOM 1210 CB GLN A 577 2.935 -9.579 -9.532 1.00 0.45 C ATOM 1211 CG GLN A 577 3.830 -8.578 -8.817 1.00 0.52 C ATOM 1212 CD GLN A 577 5.273 -9.036 -8.714 1.00 1.04 C ATOM 1213 OE1 GLN A 577 5.487 -10.340 -8.635 1.00 1.89 O flip ATOM 1214 NE2 GLN A 577 6.194 -8.218 -8.706 1.00 1.57 N flip ATOM 0 H GLN A 577 1.039 -9.534 -7.834 1.00 0.31 H new ATOM 0 HA GLN A 577 1.652 -8.023 -10.193 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.853 -10.481 -8.925 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.404 -9.869 -10.472 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.794 -7.626 -9.346 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.439 -8.401 -7.815 1.00 0.52 H new ATOM 0 HE21 GLN A 577 5.991 -7.220 -8.769 1.00 1.57 H new ATOM 0 HE22 GLN A 577 7.160 -8.538 -8.637 1.00 1.57 H new ATOM 1223 N GLU A 578 0.233 -10.988 -10.439 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.485 -11.871 -11.348 1.00 0.38 C ATOM 1225 C GLU A 578 -1.927 -11.403 -11.539 1.00 0.33 C ATOM 1226 O GLU A 578 -2.476 -11.491 -12.637 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.462 -13.304 -10.819 1.00 0.42 C ATOM 1228 CG GLU A 578 0.937 -13.812 -10.509 1.00 0.52 C ATOM 1229 CD GLU A 578 1.855 -13.788 -11.714 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.532 -12.762 -11.935 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.918 -14.806 -12.433 1.00 1.31 O ATOM 0 H GLU A 578 0.225 -11.287 -9.464 1.00 0.35 H new ATOM 0 HA GLU A 578 0.014 -11.842 -12.317 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.069 -13.359 -9.915 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.925 -13.962 -11.554 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.371 -13.203 -9.716 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.872 -14.831 -10.129 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.536 -10.909 -10.470 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.875 -10.338 -10.529 1.00 0.28 C ATOM 1240 C LYS A 579 -3.879 -8.954 -9.890 1.00 0.25 C ATOM 1241 O LYS A 579 -4.148 -8.817 -8.697 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.887 -11.230 -9.801 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.076 -12.601 -10.426 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.131 -13.429 -9.695 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.553 -12.925 -9.942 1.00 1.69 C ATOM 1246 NZ LYS A 579 -7.923 -11.761 -9.085 1.00 2.46 N ATOM 0 H LYS A 579 -2.118 -10.893 -9.540 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.163 -10.264 -11.578 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.565 -11.356 -8.767 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.850 -10.720 -9.775 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.367 -12.485 -11.470 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.127 -13.136 -10.417 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.058 -14.468 -10.016 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -5.924 -13.410 -8.625 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -7.654 -12.643 -10.990 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -8.256 -13.738 -9.762 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -8.941 -11.796 -8.873 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.383 -11.798 -8.197 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -7.704 -10.877 -9.587 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.568 -7.911 -10.671 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.527 -6.533 -10.171 1.00 0.25 C ATOM 1262 C PRO A 580 -4.898 -6.045 -9.708 1.00 0.22 C ATOM 1263 O PRO A 580 -5.932 -6.595 -10.095 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.050 -5.723 -11.380 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.375 -6.567 -12.562 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.227 -7.987 -12.102 1.00 0.32 C ATOM 0 HA PRO A 580 -2.880 -6.437 -9.299 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.555 -4.759 -11.433 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.981 -5.520 -11.322 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.388 -6.373 -12.914 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.702 -6.353 -13.393 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.896 -8.657 -12.641 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.213 -8.357 -12.256 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.902 -5.005 -8.886 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.142 -4.458 -8.368 1.00 0.22 C ATOM 1276 C ALA A 581 -6.644 -3.358 -9.280 1.00 0.20 C ATOM 1277 O ALA A 581 -5.874 -2.512 -9.720 1.00 0.19 O ATOM 1278 CB ALA A 581 -5.936 -3.917 -6.963 1.00 0.27 C ATOM 0 H ALA A 581 -4.061 -4.526 -8.566 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.886 -5.254 -8.329 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.875 -3.510 -6.588 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.603 -4.722 -6.308 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.182 -3.130 -6.983 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.927 -3.383 -9.579 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.496 -2.432 -10.515 1.00 0.26 C ATOM 1286 C ILE A 582 -9.261 -1.333 -9.788 1.00 0.28 C ATOM 1287 O ILE A 582 -10.244 -1.600 -9.095 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.449 -3.135 -11.500 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.753 -4.341 -12.139 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.915 -2.156 -12.570 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.671 -5.202 -12.979 1.00 0.51 C ATOM 0 H ILE A 582 -8.594 -4.049 -9.189 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.667 -1.987 -11.065 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.323 -3.490 -10.953 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.932 -3.987 -12.762 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.314 -4.954 -11.352 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.588 -2.665 -13.260 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.439 -1.324 -12.099 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.052 -1.777 -13.118 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.106 -6.035 -13.398 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.479 -5.587 -12.357 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.090 -4.605 -13.789 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.810 -0.100 -9.958 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.524 1.056 -9.440 1.00 0.33 C ATOM 1305 C ILE A 583 -9.773 2.046 -10.566 1.00 0.36 C ATOM 1306 O ILE A 583 -8.829 2.633 -11.099 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.746 1.770 -8.310 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.612 0.874 -7.075 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.429 3.082 -7.949 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.927 0.523 -6.416 1.00 0.51 C ATOM 0 H ILE A 583 -7.948 0.126 -10.454 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.465 0.695 -9.025 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.741 1.985 -8.674 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.105 -0.047 -7.362 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.975 1.374 -6.345 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.872 3.575 -7.152 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.459 3.730 -8.825 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.446 2.882 -7.610 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.742 -0.113 -5.551 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.428 1.436 -6.095 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.560 -0.007 -7.127 1.00 0.51 H new ATOM 1322 N ASN A 584 -11.039 2.207 -10.936 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.437 3.122 -12.006 1.00 0.47 C ATOM 1324 C ASN A 584 -10.611 2.887 -13.265 1.00 0.45 C ATOM 1325 O ASN A 584 -10.158 3.820 -13.929 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.358 4.579 -11.541 1.00 0.55 C ATOM 1327 CG ASN A 584 -12.431 4.895 -10.517 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -13.507 4.292 -10.524 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -12.167 5.849 -9.642 1.00 0.91 N ATOM 0 H ASN A 584 -11.818 1.709 -10.505 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.477 2.916 -12.257 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -10.375 4.772 -11.111 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.466 5.242 -12.399 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.864 6.107 -8.943 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.266 6.327 -9.665 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.418 1.614 -13.568 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.731 1.216 -14.775 1.00 0.44 C ATOM 1338 C GLY A 585 -8.217 1.217 -14.664 1.00 0.39 C ATOM 1339 O GLY A 585 -7.532 0.922 -15.640 1.00 0.42 O ATOM 0 H GLY A 585 -10.732 0.837 -12.987 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.062 0.216 -15.054 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.024 1.886 -15.583 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.679 1.542 -13.500 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.232 1.506 -13.316 1.00 0.32 C ATOM 1345 C GLU A 586 -5.803 0.242 -12.583 1.00 0.24 C ATOM 1346 O GLU A 586 -6.324 -0.077 -11.512 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.753 2.739 -12.542 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.706 4.016 -13.371 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.651 3.964 -14.458 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.451 4.131 -14.142 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.013 3.757 -15.634 1.00 1.79 O ATOM 0 H GLU A 586 -8.210 1.830 -12.678 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.775 1.507 -14.305 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.412 2.897 -11.688 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.758 2.541 -12.144 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.682 4.187 -13.825 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.506 4.864 -12.716 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.878 -0.490 -13.196 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.240 -1.630 -12.551 1.00 0.19 C ATOM 1360 C LYS A 587 -3.233 -1.150 -11.510 1.00 0.17 C ATOM 1361 O LYS A 587 -2.233 -0.512 -11.853 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.520 -2.509 -13.581 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.414 -3.054 -14.687 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.608 -3.813 -14.135 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.299 -4.626 -15.219 1.00 1.10 C ATOM 1366 NZ LYS A 587 -6.729 -3.794 -16.373 1.00 1.67 N ATOM 0 H LYS A 587 -4.552 -0.311 -14.146 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.018 -2.219 -12.065 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.716 -1.929 -14.035 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.055 -3.347 -13.062 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.765 -2.230 -15.308 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.832 -3.713 -15.331 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.281 -4.476 -13.334 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.317 -3.110 -13.698 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.622 -5.405 -15.570 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -7.168 -5.127 -14.793 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.325 -4.363 -17.008 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.272 -2.977 -16.029 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.892 -3.459 -16.891 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.496 -1.449 -10.248 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.635 -1.017 -9.158 1.00 0.15 C ATOM 1382 C LEU A 588 -1.462 -1.968 -8.975 1.00 0.17 C ATOM 1383 O LEU A 588 -1.612 -3.185 -9.093 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.432 -0.934 -7.860 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.712 -0.101 -7.933 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.406 -0.085 -6.589 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.414 1.312 -8.391 1.00 0.16 C ATOM 0 H LEU A 588 -4.306 -1.994 -9.951 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.245 -0.031 -9.410 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.693 -1.945 -7.548 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.790 -0.517 -7.084 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.376 -0.561 -8.665 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.316 0.512 -6.656 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.661 -1.104 -6.299 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.742 0.349 -5.842 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.341 1.884 -8.434 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.729 1.785 -7.688 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -3.958 1.285 -9.380 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.304 -1.404 -8.683 1.00 0.17 N ATOM 1400 CA LEU A 589 0.905 -2.192 -8.499 1.00 0.19 C ATOM 1401 C LEU A 589 1.376 -2.136 -7.048 1.00 0.18 C ATOM 1402 O LEU A 589 1.793 -1.082 -6.568 1.00 0.18 O ATOM 1403 CB LEU A 589 2.007 -1.683 -9.434 1.00 0.23 C ATOM 1404 CG LEU A 589 3.320 -2.464 -9.388 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.096 -3.904 -9.817 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.361 -1.802 -10.276 1.00 0.38 C ATOM 0 H LEU A 589 -0.173 -0.399 -8.567 1.00 0.17 H new ATOM 0 HA LEU A 589 0.681 -3.230 -8.743 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.629 -1.701 -10.456 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.215 -0.641 -9.189 1.00 0.23 H new ATOM 0 HG LEU A 589 3.688 -2.462 -8.362 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.041 -4.446 -9.779 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.379 -4.376 -9.146 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.707 -3.924 -10.835 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.290 -2.370 -10.233 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.999 -1.776 -11.304 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.541 -0.784 -9.929 1.00 0.38 H new ATOM 1418 N ILE A 590 1.294 -3.261 -6.348 1.00 0.18 N ATOM 1419 CA ILE A 590 1.805 -3.351 -4.984 1.00 0.18 C ATOM 1420 C ILE A 590 3.140 -4.091 -4.974 1.00 0.20 C ATOM 1421 O ILE A 590 3.218 -5.243 -5.398 1.00 0.26 O ATOM 1422 CB ILE A 590 0.810 -4.069 -4.038 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.550 -3.356 -4.056 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.370 -4.134 -2.622 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.525 -3.842 -2.997 1.00 0.21 C ATOM 0 H ILE A 590 0.879 -4.123 -6.701 1.00 0.18 H new ATOM 0 HA ILE A 590 1.940 -2.333 -4.619 1.00 0.18 H new ATOM 0 HB ILE A 590 0.667 -5.090 -4.392 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.388 -2.287 -3.921 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -1.003 -3.488 -5.038 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.657 -4.642 -1.972 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.311 -4.684 -2.628 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.542 -3.123 -2.252 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.459 -3.286 -3.080 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.720 -4.904 -3.143 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.096 -3.684 -2.008 1.00 0.21 H new ATOM 1437 N ARG A 591 4.187 -3.425 -4.488 1.00 0.18 N ATOM 1438 CA ARG A 591 5.535 -3.991 -4.480 1.00 0.22 C ATOM 1439 C ARG A 591 6.309 -3.504 -3.260 1.00 0.18 C ATOM 1440 O ARG A 591 5.903 -2.552 -2.592 1.00 0.19 O ATOM 1441 CB ARG A 591 6.303 -3.617 -5.756 1.00 0.33 C ATOM 1442 CG ARG A 591 5.745 -4.251 -7.019 1.00 0.45 C ATOM 1443 CD ARG A 591 6.659 -4.012 -8.209 1.00 0.65 C ATOM 1444 NE ARG A 591 7.945 -4.688 -8.054 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.907 -4.675 -8.975 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.728 -4.035 -10.123 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.044 -5.314 -8.750 1.00 2.62 N ATOM 0 H ARG A 591 4.126 -2.487 -4.092 1.00 0.18 H new ATOM 0 HA ARG A 591 5.437 -5.076 -4.439 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.292 -2.533 -5.870 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.345 -3.915 -5.642 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.618 -5.323 -6.865 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.757 -3.840 -7.228 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.171 -4.364 -9.118 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.824 -2.941 -8.330 1.00 0.65 H new ATOM 0 HE ARG A 591 8.116 -5.200 -7.189 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.850 -3.549 -10.304 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.469 -4.029 -10.824 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.182 -5.815 -7.872 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.782 -5.305 -9.454 1.00 2.62 H new ATOM 1461 N MET A 592 7.423 -4.162 -2.972 1.00 0.17 N ATOM 1462 CA MET A 592 8.251 -3.793 -1.831 1.00 0.18 C ATOM 1463 C MET A 592 9.170 -2.632 -2.186 1.00 0.21 C ATOM 1464 O MET A 592 9.557 -2.463 -3.341 1.00 0.29 O ATOM 1465 CB MET A 592 9.075 -4.982 -1.337 1.00 0.19 C ATOM 1466 CG MET A 592 8.262 -6.006 -0.564 1.00 0.22 C ATOM 1467 SD MET A 592 9.300 -7.262 0.204 1.00 0.29 S ATOM 1468 CE MET A 592 8.080 -8.250 1.065 1.00 0.34 C ATOM 0 H MET A 592 7.775 -4.953 -3.511 1.00 0.17 H new ATOM 0 HA MET A 592 7.584 -3.481 -1.027 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.541 -5.471 -2.193 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.881 -4.616 -0.701 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.679 -5.499 0.205 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.552 -6.486 -1.237 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.425 -9.282 1.125 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.937 -7.856 2.071 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.135 -8.214 0.523 1.00 0.34 H new ATOM 1478 N SER A 593 9.511 -1.838 -1.183 1.00 0.23 N ATOM 1479 CA SER A 593 10.324 -0.649 -1.376 1.00 0.26 C ATOM 1480 C SER A 593 11.811 -0.980 -1.400 1.00 0.25 C ATOM 1481 O SER A 593 12.319 -1.672 -0.513 1.00 0.27 O ATOM 1482 CB SER A 593 10.053 0.325 -0.245 1.00 0.34 C ATOM 1483 OG SER A 593 10.287 -0.308 1.003 1.00 1.37 O ATOM 0 H SER A 593 9.233 -2.000 -0.215 1.00 0.23 H new ATOM 0 HA SER A 593 10.059 -0.210 -2.338 1.00 0.26 H new ATOM 0 HB2 SER A 593 10.695 1.200 -0.345 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.023 0.678 -0.296 1.00 0.34 H new ATOM 0 HG SER A 593 11.168 -0.045 1.343 1.00 1.37 H new ATOM 1489 N THR A 594 12.496 -0.491 -2.416 1.00 0.27 N ATOM 1490 CA THR A 594 13.935 -0.645 -2.512 1.00 0.30 C ATOM 1491 C THR A 594 14.679 0.535 -1.878 1.00 0.31 C ATOM 1492 O THR A 594 15.864 0.431 -1.561 1.00 0.33 O ATOM 1493 CB THR A 594 14.372 -0.815 -3.976 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.745 0.184 -4.788 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.009 -2.200 -4.490 1.00 0.38 C ATOM 0 H THR A 594 12.075 0.020 -3.192 1.00 0.27 H new ATOM 0 HA THR A 594 14.196 -1.546 -1.956 1.00 0.30 H new ATOM 0 HB THR A 594 15.455 -0.700 -4.029 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.028 0.073 -5.720 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.328 -2.298 -5.528 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.509 -2.956 -3.884 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.930 -2.340 -4.427 1.00 0.38 H new ATOM 1503 N ARG A 595 13.980 1.654 -1.679 1.00 0.32 N ATOM 1504 CA ARG A 595 14.647 2.886 -1.255 1.00 0.37 C ATOM 1505 C ARG A 595 14.452 3.188 0.235 1.00 0.37 C ATOM 1506 O ARG A 595 15.317 3.797 0.864 1.00 0.41 O ATOM 1507 CB ARG A 595 14.144 4.072 -2.076 1.00 0.41 C ATOM 1508 CG ARG A 595 14.366 3.931 -3.571 1.00 0.46 C ATOM 1509 CD ARG A 595 13.976 5.203 -4.309 1.00 0.56 C ATOM 1510 NE ARG A 595 14.847 6.326 -3.959 1.00 1.36 N ATOM 1511 CZ ARG A 595 14.420 7.477 -3.436 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.139 7.656 -3.146 1.00 1.16 N ATOM 1513 NH2 ARG A 595 15.285 8.446 -3.181 1.00 2.75 N ATOM 0 H ARG A 595 12.971 1.733 -1.802 1.00 0.32 H new ATOM 0 HA ARG A 595 15.713 2.732 -1.424 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.078 4.203 -1.889 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.643 4.977 -1.730 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.414 3.702 -3.765 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.781 3.094 -3.951 1.00 0.46 H new ATOM 0 HD2 ARG A 595 14.023 5.028 -5.384 1.00 0.56 H new ATOM 0 HD3 ARG A 595 12.943 5.458 -4.073 1.00 0.56 H new ATOM 0 HE ARG A 595 15.848 6.222 -4.126 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.467 6.909 -3.322 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.825 8.541 -2.747 1.00 1.16 H new ATOM 0 HH21 ARG A 595 16.276 8.312 -3.384 1.00 2.75 H new ATOM 0 HH22 ARG A 595 14.961 9.327 -2.781 1.00 2.75 H new ATOM 1527 N TYR A 596 13.326 2.766 0.799 1.00 0.35 N ATOM 1528 CA TYR A 596 13.016 3.070 2.201 1.00 0.37 C ATOM 1529 C TYR A 596 12.719 1.817 3.010 1.00 0.35 C ATOM 1530 O TYR A 596 12.153 0.848 2.494 1.00 0.36 O ATOM 1531 CB TYR A 596 11.834 4.043 2.298 1.00 0.39 C ATOM 1532 CG TYR A 596 12.190 5.482 1.987 1.00 0.43 C ATOM 1533 CD1 TYR A 596 12.480 5.894 0.692 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.235 6.430 3.000 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.808 7.208 0.418 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.560 7.745 2.734 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.846 8.130 1.444 1.00 0.56 C ATOM 1538 OH TYR A 596 13.170 9.442 1.179 1.00 0.65 O ATOM 0 H TYR A 596 12.615 2.217 0.316 1.00 0.35 H new ATOM 0 HA TYR A 596 13.905 3.537 2.625 1.00 0.37 H new ATOM 0 HB2 TYR A 596 11.052 3.717 1.612 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.417 3.992 3.304 1.00 0.39 H new ATOM 0 HD1 TYR A 596 12.449 5.175 -0.114 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.012 6.134 4.014 1.00 0.54 H new ATOM 0 HE1 TYR A 596 13.033 7.512 -0.594 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.590 8.469 3.535 1.00 0.61 H new ATOM 0 HH TYR A 596 13.150 9.959 2.012 1.00 0.65 H new ATOM 1548 N LYS A 597 13.116 1.842 4.279 1.00 0.38 N ATOM 1549 CA LYS A 597 12.907 0.712 5.176 1.00 0.41 C ATOM 1550 C LYS A 597 11.848 0.996 6.232 1.00 0.41 C ATOM 1551 O LYS A 597 11.410 0.078 6.915 1.00 0.48 O ATOM 1552 CB LYS A 597 14.201 0.313 5.882 1.00 0.50 C ATOM 1553 CG LYS A 597 15.279 -0.221 4.955 1.00 0.62 C ATOM 1554 CD LYS A 597 14.720 -1.206 3.945 1.00 1.29 C ATOM 1555 CE LYS A 597 15.829 -1.903 3.185 1.00 1.67 C ATOM 1556 NZ LYS A 597 16.789 -0.943 2.578 1.00 2.18 N ATOM 0 H LYS A 597 13.587 2.638 4.710 1.00 0.38 H new ATOM 0 HA LYS A 597 12.562 -0.107 4.544 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.593 1.180 6.415 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.974 -0.446 6.631 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.750 0.610 4.430 1.00 0.62 H new ATOM 0 HG3 LYS A 597 16.056 -0.707 5.544 1.00 0.62 H new ATOM 0 HD2 LYS A 597 14.106 -1.947 4.457 1.00 1.29 H new ATOM 0 HD3 LYS A 597 14.069 -0.682 3.245 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.365 -2.571 3.860 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.395 -2.523 2.401 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.382 -1.438 1.882 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.264 -0.180 2.105 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.393 -0.538 3.322 1.00 2.18 H new ATOM 1570 N GLU A 598 11.422 2.242 6.372 1.00 0.38 N ATOM 1571 CA GLU A 598 10.508 2.587 7.450 1.00 0.41 C ATOM 1572 C GLU A 598 9.476 3.613 6.997 1.00 0.34 C ATOM 1573 O GLU A 598 9.738 4.440 6.123 1.00 0.33 O ATOM 1574 CB GLU A 598 11.304 3.136 8.642 1.00 0.55 C ATOM 1575 CG GLU A 598 10.448 3.523 9.839 1.00 0.62 C ATOM 1576 CD GLU A 598 11.256 4.168 10.948 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.666 3.453 11.888 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.483 5.394 10.886 1.00 0.91 O ATOM 0 H GLU A 598 11.688 3.018 5.766 1.00 0.38 H new ATOM 0 HA GLU A 598 9.974 1.685 7.747 1.00 0.41 H new ATOM 0 HB2 GLU A 598 12.030 2.386 8.956 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.869 4.009 8.316 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.667 4.211 9.516 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.949 2.635 10.227 1.00 0.62 H new ATOM 1585 N LEU A 599 8.304 3.543 7.612 1.00 0.36 N ATOM 1586 CA LEU A 599 7.236 4.495 7.350 1.00 0.32 C ATOM 1587 C LEU A 599 6.940 5.321 8.589 1.00 0.33 C ATOM 1588 O LEU A 599 6.611 4.781 9.646 1.00 0.37 O ATOM 1589 CB LEU A 599 5.965 3.782 6.879 1.00 0.33 C ATOM 1590 CG LEU A 599 6.097 3.026 5.556 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.757 2.479 5.108 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.679 3.925 4.478 1.00 0.33 C ATOM 0 H LEU A 599 8.068 2.830 8.302 1.00 0.36 H new ATOM 0 HA LEU A 599 7.572 5.160 6.555 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.654 3.079 7.652 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.169 4.520 6.780 1.00 0.33 H new ATOM 0 HG LEU A 599 6.776 2.189 5.718 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.878 1.946 4.165 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.372 1.795 5.864 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.055 3.302 4.972 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.764 3.367 3.546 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.025 4.784 4.328 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.666 4.270 4.786 1.00 0.33 H new ATOM 1604 N GLN A 600 7.071 6.627 8.451 1.00 0.36 N ATOM 1605 CA GLN A 600 6.801 7.545 9.539 1.00 0.44 C ATOM 1606 C GLN A 600 5.560 8.371 9.219 1.00 0.39 C ATOM 1607 O GLN A 600 5.498 9.031 8.182 1.00 0.43 O ATOM 1608 CB GLN A 600 8.011 8.454 9.762 1.00 0.59 C ATOM 1609 CG GLN A 600 7.879 9.382 10.956 1.00 0.85 C ATOM 1610 CD GLN A 600 9.117 10.230 11.162 1.00 1.10 C ATOM 1611 OE1 GLN A 600 10.049 9.830 11.860 1.00 1.52 O ATOM 1612 NE2 GLN A 600 9.139 11.406 10.554 1.00 1.34 N ATOM 0 H GLN A 600 7.366 7.079 7.585 1.00 0.36 H new ATOM 0 HA GLN A 600 6.618 6.981 10.454 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.898 7.834 9.894 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.171 9.053 8.866 1.00 0.59 H new ATOM 0 HG2 GLN A 600 7.015 10.032 10.815 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.691 8.792 11.853 1.00 0.85 H new ATOM 0 HE21 GLN A 600 8.346 11.700 9.984 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.949 12.017 10.655 1.00 1.34 H new ATOM 1621 N LEU A 601 4.572 8.321 10.097 1.00 0.37 N ATOM 1622 CA LEU A 601 3.312 9.015 9.869 1.00 0.34 C ATOM 1623 C LEU A 601 3.445 10.512 10.132 1.00 0.39 C ATOM 1624 O LEU A 601 3.289 10.967 11.268 1.00 0.46 O ATOM 1625 CB LEU A 601 2.206 8.429 10.754 1.00 0.36 C ATOM 1626 CG LEU A 601 1.804 6.985 10.443 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.758 6.503 11.435 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.278 6.866 9.019 1.00 0.32 C ATOM 0 H LEU A 601 4.617 7.806 10.977 1.00 0.37 H new ATOM 0 HA LEU A 601 3.045 8.874 8.822 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.531 8.481 11.793 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.322 9.060 10.665 1.00 0.36 H new ATOM 0 HG LEU A 601 2.689 6.356 10.534 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.482 5.475 11.202 1.00 0.46 H new ATOM 0 HD12 LEU A 601 1.166 6.549 12.445 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.125 7.139 11.371 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.998 5.832 8.820 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.405 7.508 8.899 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.054 7.174 8.318 1.00 0.32 H new ATOM 1640 N LYS A 602 3.746 11.273 9.085 1.00 0.41 N ATOM 1641 CA LYS A 602 3.747 12.728 9.176 1.00 0.48 C ATOM 1642 C LYS A 602 2.328 13.223 9.418 1.00 0.46 C ATOM 1643 O LYS A 602 2.107 14.225 10.096 1.00 0.51 O ATOM 1644 CB LYS A 602 4.289 13.359 7.891 1.00 0.59 C ATOM 1645 CG LYS A 602 5.706 12.956 7.534 1.00 0.69 C ATOM 1646 CD LYS A 602 6.177 13.727 6.312 1.00 0.93 C ATOM 1647 CE LYS A 602 7.590 13.350 5.912 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.591 13.772 6.923 1.00 1.73 N ATOM 0 H LYS A 602 3.992 10.907 8.165 1.00 0.41 H new ATOM 0 HA LYS A 602 4.393 13.019 10.005 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.631 13.090 7.065 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.249 14.444 7.990 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.371 13.152 8.375 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.749 11.885 7.336 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.501 13.534 5.479 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.132 14.796 6.518 1.00 0.93 H new ATOM 0 HE2 LYS A 602 7.650 12.271 5.772 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.829 13.810 4.953 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.549 13.617 6.549 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.463 14.781 7.138 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.464 13.214 7.791 1.00 1.73 H new ATOM 1662 N LYS A 603 1.372 12.493 8.864 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.035 12.823 9.007 1.00 0.48 C ATOM 1664 C LYS A 603 -0.724 11.743 9.834 1.00 0.54 C ATOM 1665 O LYS A 603 -0.392 10.564 9.711 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.700 12.924 7.626 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.033 13.921 6.689 1.00 0.65 C ATOM 1668 CD LYS A 603 0.014 15.316 7.293 1.00 0.79 C ATOM 1669 CE LYS A 603 0.694 16.302 6.360 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.867 17.634 6.990 1.00 1.69 N ATOM 0 H LYS A 603 1.550 11.659 8.305 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.128 13.785 9.511 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.692 11.940 7.158 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.745 13.207 7.757 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.980 13.587 6.464 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.576 13.952 5.744 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -0.999 15.655 7.507 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.547 15.285 8.243 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.668 15.911 6.066 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.104 16.405 5.449 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 1.335 18.277 6.320 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.064 18.020 7.248 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 1.451 17.540 7.845 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.551 4.631 12.449 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.622 3.229 12.840 1.00 0.48 C ATOM 1729 C ASN A 607 -8.757 2.342 11.607 1.00 0.43 C ATOM 1730 O ASN A 607 -9.706 2.476 10.829 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.813 3.010 13.782 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.048 1.549 14.127 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.119 0.746 14.179 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.301 1.196 14.365 1.00 1.33 N ATOM 0 HA ASN A 607 -7.703 2.961 13.361 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.647 3.571 14.702 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.713 3.416 13.319 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.522 0.229 14.601 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.046 1.891 14.312 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.807 1.437 11.442 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.759 0.578 10.271 1.00 0.22 C ATOM 1743 C VAL A 608 -8.618 -0.671 10.470 1.00 0.21 C ATOM 1744 O VAL A 608 -9.117 -1.254 9.507 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.301 0.192 9.933 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.251 -0.828 8.812 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.500 1.432 9.560 1.00 0.27 C ATOM 0 H VAL A 608 -7.053 1.278 12.110 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.168 1.136 9.429 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.856 -0.261 10.819 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.213 -1.081 8.596 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.788 -1.727 9.114 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.716 -0.410 7.919 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.475 1.146 9.324 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.952 1.910 8.691 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.498 2.130 10.397 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.812 -1.064 11.723 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.698 -2.181 12.041 1.00 0.33 C ATOM 1759 C ALA A 609 -11.117 -1.895 11.549 1.00 0.32 C ATOM 1760 O ALA A 609 -11.840 -2.797 11.109 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.692 -2.456 13.536 1.00 0.44 C ATOM 0 H ALA A 609 -8.371 -0.629 12.533 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.331 -3.071 11.529 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.357 -3.291 13.755 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.680 -2.705 13.856 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.034 -1.570 14.070 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.499 -0.624 11.595 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.796 -0.200 11.091 1.00 0.35 C ATOM 1769 C ALA A 610 -12.867 -0.410 9.586 1.00 0.30 C ATOM 1770 O ALA A 610 -13.927 -0.688 9.037 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.053 1.257 11.440 1.00 0.40 C ATOM 0 H ALA A 610 -10.927 0.130 11.977 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.569 -0.805 11.564 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.028 1.557 11.055 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.037 1.380 12.523 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.279 1.880 10.993 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.714 -0.305 8.936 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.620 -0.492 7.496 1.00 0.23 C ATOM 1779 C ILE A 611 -11.827 -1.970 7.150 1.00 0.22 C ATOM 1780 O ILE A 611 -12.319 -2.307 6.071 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.256 0.013 6.962 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.099 1.501 7.284 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.142 -0.211 5.460 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.756 2.069 6.896 1.00 0.23 C ATOM 0 H ILE A 611 -10.826 -0.090 9.389 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.402 0.095 7.014 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.461 -0.551 7.450 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.881 2.059 6.770 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.251 1.650 8.353 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.176 0.152 5.110 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.230 -1.276 5.243 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.939 0.330 4.950 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.720 3.127 7.155 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.968 1.538 7.430 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.608 1.953 5.822 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.449 -2.851 8.078 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.760 -4.274 7.957 1.00 0.24 C ATOM 1798 C ILE A 612 -13.269 -4.466 7.925 1.00 0.27 C ATOM 1799 O ILE A 612 -13.797 -5.266 7.147 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.185 -5.095 9.136 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.678 -4.877 9.267 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.488 -6.574 8.946 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.060 -5.560 10.467 1.00 0.31 C ATOM 0 H ILE A 612 -10.928 -2.604 8.919 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.303 -4.629 7.033 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.661 -4.752 10.055 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.189 -5.240 8.363 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.480 -3.807 9.329 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.078 -7.140 9.782 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.567 -6.722 8.902 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.036 -6.921 8.017 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -7.989 -5.358 10.489 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.520 -5.180 11.379 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.225 -6.635 10.398 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.957 -3.704 8.764 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.413 -3.732 8.807 1.00 0.35 C ATOM 1817 C GLN A 613 -15.997 -3.238 7.483 1.00 0.34 C ATOM 1818 O GLN A 613 -17.064 -3.678 7.062 1.00 0.37 O ATOM 1819 CB GLN A 613 -15.929 -2.884 9.967 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.408 -3.337 11.322 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.953 -2.514 12.469 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.238 -1.248 12.211 1.00 1.97 O flip ATOM 1823 NE2 GLN A 613 -16.115 -3.015 13.584 1.00 2.31 N flip ATOM 0 H GLN A 613 -13.529 -3.057 9.426 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.734 -4.762 8.963 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.642 -1.845 9.804 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.018 -2.916 9.975 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.672 -4.383 11.475 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.320 -3.279 11.325 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -15.883 -3.996 13.741 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.481 -2.449 14.349 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.269 -2.342 6.825 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.679 -1.827 5.515 1.00 0.33 C ATOM 1834 C ASP A 614 -15.670 -2.948 4.484 1.00 0.30 C ATOM 1835 O ASP A 614 -16.608 -3.095 3.701 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.763 -0.692 5.041 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.072 0.636 5.699 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.584 0.877 6.817 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.795 1.454 5.091 1.00 1.09 O ATOM 0 H ASP A 614 -14.392 -1.955 7.174 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.689 -1.430 5.621 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.727 -0.960 5.247 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.856 -0.585 3.960 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.610 -3.745 4.504 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.474 -4.878 3.601 1.00 0.27 C ATOM 1846 C ILE A 615 -15.547 -5.919 3.893 1.00 0.32 C ATOM 1847 O ILE A 615 -16.164 -6.466 2.981 1.00 0.35 O ATOM 1848 CB ILE A 615 -13.088 -5.522 3.765 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -12.007 -4.491 3.460 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.945 -6.736 2.852 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.621 -4.935 3.842 1.00 0.18 C ATOM 0 H ILE A 615 -13.824 -3.625 5.143 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.590 -4.518 2.579 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.975 -5.863 4.794 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -12.025 -4.264 2.394 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.241 -3.566 3.987 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.957 -7.176 2.984 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.707 -7.473 3.105 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -13.069 -6.427 1.814 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.906 -4.150 3.595 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.585 -5.135 4.913 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.366 -5.843 3.295 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.765 -6.172 5.178 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.766 -7.143 5.619 1.00 0.46 C ATOM 1865 C HIS A 616 -18.175 -6.707 5.227 1.00 0.44 C ATOM 1866 O HIS A 616 -19.011 -7.537 4.868 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.692 -7.351 7.133 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.474 -8.098 7.584 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.193 -8.345 8.908 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.468 -8.661 6.877 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.068 -9.027 8.997 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.607 -9.232 7.780 1.00 0.82 N ATOM 0 H HIS A 616 -15.260 -5.717 5.939 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.545 -8.086 5.119 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.713 -6.379 7.625 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.580 -7.892 7.459 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.362 -8.661 5.802 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.603 -9.361 9.913 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.750 -9.733 7.547 1.00 0.82 H new ATOM 1881 N SER A 617 -18.438 -5.407 5.309 1.00 0.45 N ATOM 1882 CA SER A 617 -19.719 -4.854 4.891 1.00 0.51 C ATOM 1883 C SER A 617 -19.851 -4.901 3.372 1.00 0.49 C ATOM 1884 O SER A 617 -20.959 -4.872 2.835 1.00 0.57 O ATOM 1885 CB SER A 617 -19.874 -3.415 5.389 1.00 0.58 C ATOM 1886 OG SER A 617 -19.709 -3.343 6.797 1.00 1.18 O ATOM 0 H SER A 617 -17.777 -4.715 5.663 1.00 0.45 H new ATOM 0 HA SER A 617 -20.511 -5.461 5.330 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.139 -2.776 4.900 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.858 -3.036 5.115 1.00 0.58 H new ATOM 0 HG SER A 617 -18.757 -3.247 7.010 1.00 1.18 H new