USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=29 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 120:sc= 0.257 USER MOD Set 1.2: A 584 ASN : amide:sc= 0.355 X(o=0.61,f=1.1) USER MOD Set 2.1: A 563 MET CE :methyl -165:sc= -4.82! (180deg=-5.44!) USER MOD Set 2.2: A 572 MET CE :methyl -152:sc= -4.75! (180deg=-7.03!) USER MOD Set 3.1: A 553 MET CE :methyl -116:sc= -0.241 (180deg=-0.0609) USER MOD Set 3.2: A 556 THR OG1 : rot 10:sc= -0.616 USER MOD Set 3.3: A 558 GLN :FLIP amide:sc= -0.281 F(o=-1.9,f=-1.1) USER MOD Set 4.1: A 535 ASN : amide:sc= -0.303! K(o=-1.7!,f=-3.7) USER MOD Set 4.2: A 539 ASN :FLIP amide:sc= -1.41 F(o=-3.2,f=-1.7) USER MOD Single : A 523 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.1) USER MOD Single : A 525 CYS SG : rot -24:sc= -1.9! USER MOD Single : A 526 ASN : amide:sc= 0.318 K(o=0.32,f=-0.79) USER MOD Single : A 532 CYS SG : rot 14:sc= -0.357 USER MOD Single : A 533 THR OG1 : rot -137:sc= 2 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 119:sc= 1.27 USER MOD Single : A 549 ASN : amide:sc= -1.93! C(o=-1.9!,f=-4.9!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ 161:sc= -0.0856 (180deg=-0.445) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.3!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 574 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.88) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 60:sc= -2.02! USER MOD Single : A 577 GLN : amide:sc= -0.543 K(o=-0.54,f=-3.9!) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 161:sc= -0.12 (180deg=-0.57) USER MOD Single : A 592 MET CE :methyl -160:sc= 0 (180deg=-0.0765) USER MOD Single : A 593 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.026) USER MOD Single : A 600 GLN :FLIP amide:sc= -2.17! C(o=-2.7!,f=-2.2!) USER MOD Single : A 602 LYS NZ :NH3+ 155:sc= -0.122 (180deg=-0.636) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= 0.214 K(o=0.21,f=-7.4!) USER MOD Single : A 613 GLN :FLIP amide:sc=-0.00419 F(o=-1.1,f=-0.0042) USER MOD Single : A 616 HIS :FLIP no HE2:sc= 0.357 F(o=-1.2,f=0.36) USER MOD Single : A 617 SER OG : rot 69:sc= 0.335 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 8.927 -3.222 7.381 1.00 0.46 N ATOM 322 CA ARG A 520 8.605 -3.498 5.994 1.00 0.40 C ATOM 323 C ARG A 520 8.020 -2.254 5.350 1.00 0.34 C ATOM 324 O ARG A 520 7.163 -1.584 5.928 1.00 0.36 O ATOM 325 CB ARG A 520 7.596 -4.651 5.855 1.00 0.44 C ATOM 326 CG ARG A 520 8.086 -6.014 6.339 1.00 0.56 C ATOM 327 CD ARG A 520 8.122 -6.106 7.857 1.00 0.64 C ATOM 328 NE ARG A 520 6.863 -5.668 8.460 1.00 0.93 N ATOM 329 CZ ARG A 520 6.548 -5.832 9.743 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.355 -6.499 10.557 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.412 -5.340 10.210 1.00 2.22 N ATOM 0 HA ARG A 520 9.529 -3.792 5.496 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.694 -4.391 6.409 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.312 -4.738 4.806 1.00 0.44 H new ATOM 0 HG2 ARG A 520 7.434 -6.793 5.945 1.00 0.56 H new ATOM 0 HG3 ARG A 520 9.083 -6.202 5.942 1.00 0.56 H new ATOM 0 HD2 ARG A 520 8.328 -7.134 8.154 1.00 0.64 H new ATOM 0 HD3 ARG A 520 8.939 -5.494 8.239 1.00 0.64 H new ATOM 0 HE ARG A 520 6.182 -5.206 7.858 1.00 0.93 H new ATOM 0 HH11 ARG A 520 8.227 -6.892 10.202 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.104 -6.619 11.538 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.780 -4.837 9.587 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.168 -5.464 11.193 1.00 2.22 H new ATOM 345 N VAL A 521 8.498 -1.945 4.162 1.00 0.29 N ATOM 346 CA VAL A 521 7.910 -0.888 3.367 1.00 0.24 C ATOM 347 C VAL A 521 7.344 -1.440 2.076 1.00 0.21 C ATOM 348 O VAL A 521 8.063 -2.045 1.274 1.00 0.23 O ATOM 349 CB VAL A 521 8.893 0.253 3.075 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.230 1.314 2.217 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.393 0.851 4.373 1.00 0.32 C ATOM 0 H VAL A 521 9.293 -2.412 3.726 1.00 0.29 H new ATOM 0 HA VAL A 521 7.100 -0.465 3.961 1.00 0.24 H new ATOM 0 HB VAL A 521 9.745 -0.147 2.525 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.940 2.117 2.018 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.909 0.871 1.274 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.364 1.717 2.742 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.090 1.660 4.156 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.550 1.242 4.942 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.900 0.082 4.956 1.00 0.32 H new ATOM 361 N VAL A 522 6.058 -1.234 1.880 1.00 0.20 N ATOM 362 CA VAL A 522 5.391 -1.699 0.684 1.00 0.18 C ATOM 363 C VAL A 522 4.770 -0.501 -0.021 1.00 0.18 C ATOM 364 O VAL A 522 3.964 0.219 0.571 1.00 0.19 O ATOM 365 CB VAL A 522 4.309 -2.739 1.034 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.727 -3.365 -0.218 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.874 -3.806 1.955 1.00 0.22 C ATOM 0 H VAL A 522 5.452 -0.745 2.538 1.00 0.20 H new ATOM 0 HA VAL A 522 6.113 -2.182 0.026 1.00 0.18 H new ATOM 0 HB VAL A 522 3.502 -2.224 1.556 1.00 0.20 H new ATOM 0 HG11 VAL A 522 2.966 -4.095 0.060 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.277 -2.589 -0.837 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.519 -3.862 -0.778 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.096 -4.532 2.192 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.703 -4.312 1.460 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.229 -3.342 2.875 1.00 0.22 H new ATOM 377 N HIS A 523 5.157 -0.263 -1.264 1.00 0.18 N ATOM 378 CA HIS A 523 4.688 0.900 -1.996 1.00 0.18 C ATOM 379 C HIS A 523 3.671 0.479 -3.044 1.00 0.17 C ATOM 380 O HIS A 523 3.878 -0.487 -3.779 1.00 0.18 O ATOM 381 CB HIS A 523 5.874 1.604 -2.669 1.00 0.20 C ATOM 382 CG HIS A 523 5.535 2.912 -3.327 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.617 3.119 -4.688 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.145 4.095 -2.797 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.297 4.370 -4.960 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.005 4.984 -3.831 1.00 0.37 N ATOM 0 H HIS A 523 5.796 -0.862 -1.787 1.00 0.18 H new ATOM 0 HA HIS A 523 4.212 1.591 -1.300 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.648 1.778 -1.921 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.299 0.935 -3.418 1.00 0.20 H new ATOM 0 HD2 HIS A 523 4.975 4.301 -1.750 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.278 4.816 -5.943 1.00 0.44 H new ATOM 0 HE2 HIS A 523 4.722 5.960 -3.741 1.00 0.37 H new ATOM 395 N ILE A 524 2.581 1.210 -3.105 1.00 0.16 N ATOM 396 CA ILE A 524 1.531 0.960 -4.067 1.00 0.16 C ATOM 397 C ILE A 524 1.499 2.108 -5.062 1.00 0.17 C ATOM 398 O ILE A 524 1.740 3.258 -4.695 1.00 0.19 O ATOM 399 CB ILE A 524 0.160 0.827 -3.369 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.255 -0.201 -2.236 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.925 0.434 -4.368 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.053 -0.458 -1.527 1.00 0.18 C ATOM 0 H ILE A 524 2.397 1.999 -2.485 1.00 0.16 H new ATOM 0 HA ILE A 524 1.735 0.021 -4.582 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.114 1.794 -2.947 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.626 -1.141 -2.643 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.989 0.143 -1.508 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.881 0.347 -3.851 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.000 1.197 -5.143 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.670 -0.523 -4.824 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.901 -1.197 -0.740 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.417 0.471 -1.088 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.786 -0.834 -2.241 1.00 0.18 H new ATOM 414 N CYS A 525 1.234 1.808 -6.314 1.00 0.17 N ATOM 415 CA CYS A 525 1.224 2.836 -7.334 1.00 0.18 C ATOM 416 C CYS A 525 0.082 2.631 -8.312 1.00 0.15 C ATOM 417 O CYS A 525 -0.534 1.561 -8.342 1.00 0.16 O ATOM 418 CB CYS A 525 2.562 2.863 -8.074 1.00 0.29 C ATOM 419 SG CYS A 525 3.121 1.249 -8.663 1.00 1.17 S ATOM 0 H CYS A 525 1.024 0.868 -6.650 1.00 0.17 H new ATOM 0 HA CYS A 525 1.074 3.797 -6.842 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.479 3.538 -8.926 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.322 3.278 -7.411 1.00 0.29 H new ATOM 0 HG CYS A 525 2.580 0.313 -7.942 1.00 1.17 H new ATOM 425 N ASN A 526 -0.196 3.691 -9.069 1.00 0.15 N ATOM 426 CA ASN A 526 -1.183 3.691 -10.158 1.00 0.16 C ATOM 427 C ASN A 526 -2.569 4.006 -9.626 1.00 0.15 C ATOM 428 O ASN A 526 -3.577 3.620 -10.215 1.00 0.18 O ATOM 429 CB ASN A 526 -1.204 2.370 -10.951 1.00 0.19 C ATOM 430 CG ASN A 526 0.106 2.073 -11.654 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.862 2.981 -11.997 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.374 0.797 -11.891 1.00 0.26 N ATOM 0 H ASN A 526 0.264 4.592 -8.944 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.876 4.473 -10.852 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.438 1.550 -10.272 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.004 2.410 -11.690 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.234 0.538 -12.374 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.280 0.074 -11.590 1.00 0.26 H new ATOM 439 N LEU A 527 -2.608 4.744 -8.526 1.00 0.15 N ATOM 440 CA LEU A 527 -3.866 5.171 -7.943 1.00 0.17 C ATOM 441 C LEU A 527 -4.333 6.438 -8.645 1.00 0.22 C ATOM 442 O LEU A 527 -3.593 7.417 -8.710 1.00 0.25 O ATOM 443 CB LEU A 527 -3.697 5.428 -6.440 1.00 0.15 C ATOM 444 CG LEU A 527 -3.498 4.181 -5.573 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.084 4.570 -4.162 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.778 3.368 -5.529 1.00 0.21 C ATOM 0 H LEU A 527 -1.780 5.059 -8.020 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.611 4.386 -8.073 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.842 6.088 -6.297 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.576 5.962 -6.080 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.705 3.577 -6.015 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.948 3.670 -3.562 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.148 5.128 -4.198 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.859 5.191 -3.714 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.626 2.484 -4.910 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.579 3.974 -5.106 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.049 3.062 -6.539 1.00 0.21 H new ATOM 458 N PRO A 528 -5.552 6.442 -9.203 1.00 0.26 N ATOM 459 CA PRO A 528 -6.069 7.615 -9.900 1.00 0.33 C ATOM 460 C PRO A 528 -6.422 8.733 -8.930 1.00 0.34 C ATOM 461 O PRO A 528 -7.041 8.495 -7.890 1.00 0.32 O ATOM 462 CB PRO A 528 -7.334 7.103 -10.606 1.00 0.38 C ATOM 463 CG PRO A 528 -7.330 5.617 -10.439 1.00 0.37 C ATOM 464 CD PRO A 528 -6.503 5.327 -9.220 1.00 0.29 C ATOM 0 HA PRO A 528 -5.335 8.036 -10.587 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.230 7.542 -10.167 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.329 7.377 -11.661 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.345 5.237 -10.319 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.909 5.129 -11.318 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.111 5.299 -8.316 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.997 4.364 -9.294 1.00 0.29 H new ATOM 472 N GLU A 529 -6.023 9.945 -9.273 1.00 0.41 N ATOM 473 CA GLU A 529 -6.330 11.118 -8.473 1.00 0.46 C ATOM 474 C GLU A 529 -7.830 11.366 -8.464 1.00 0.47 C ATOM 475 O GLU A 529 -8.491 11.228 -9.496 1.00 0.53 O ATOM 476 CB GLU A 529 -5.592 12.327 -9.025 1.00 0.57 C ATOM 477 CG GLU A 529 -5.930 13.626 -8.319 1.00 0.66 C ATOM 478 CD GLU A 529 -5.204 14.810 -8.909 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.720 15.416 -9.868 1.00 1.60 O ATOM 480 OE2 GLU A 529 -4.113 15.140 -8.416 1.00 1.41 O ATOM 0 H GLU A 529 -5.478 10.144 -10.112 1.00 0.41 H new ATOM 0 HA GLU A 529 -6.003 10.948 -7.447 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.519 12.152 -8.949 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.824 12.430 -10.085 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -7.005 13.798 -8.376 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.677 13.538 -7.262 1.00 0.66 H new ATOM 487 N GLY A 530 -8.372 11.727 -7.310 1.00 0.46 N ATOM 488 CA GLY A 530 -9.806 11.848 -7.191 1.00 0.48 C ATOM 489 C GLY A 530 -10.424 10.514 -6.860 1.00 0.43 C ATOM 490 O GLY A 530 -11.646 10.367 -6.819 1.00 0.46 O ATOM 0 H GLY A 530 -7.847 11.936 -6.461 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -10.052 12.572 -6.414 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.223 12.227 -8.124 1.00 0.48 H new ATOM 494 N SER A 531 -9.563 9.533 -6.638 1.00 0.37 N ATOM 495 CA SER A 531 -9.980 8.162 -6.419 1.00 0.35 C ATOM 496 C SER A 531 -8.976 7.443 -5.517 1.00 0.28 C ATOM 497 O SER A 531 -9.069 6.237 -5.295 1.00 0.30 O ATOM 498 CB SER A 531 -10.099 7.447 -7.764 1.00 0.40 C ATOM 499 OG SER A 531 -11.066 8.085 -8.587 1.00 1.08 O ATOM 0 H SER A 531 -8.553 9.669 -6.605 1.00 0.37 H new ATOM 0 HA SER A 531 -10.951 8.153 -5.924 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.132 7.443 -8.267 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.379 6.406 -7.605 1.00 0.40 H new ATOM 0 HG SER A 531 -10.639 8.397 -9.412 1.00 1.08 H new ATOM 505 N CYS A 532 -8.015 8.199 -4.994 1.00 0.24 N ATOM 506 CA CYS A 532 -7.023 7.649 -4.085 1.00 0.20 C ATOM 507 C CYS A 532 -7.553 7.723 -2.668 1.00 0.18 C ATOM 508 O CYS A 532 -7.290 8.691 -1.953 1.00 0.21 O ATOM 509 CB CYS A 532 -5.705 8.431 -4.164 1.00 0.21 C ATOM 510 SG CYS A 532 -4.975 8.524 -5.810 1.00 0.25 S ATOM 0 H CYS A 532 -7.905 9.195 -5.186 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.831 6.615 -4.371 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.878 9.444 -3.802 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.985 7.970 -3.488 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.851 8.151 -6.695 1.00 0.25 H new ATOM 516 N THR A 533 -8.309 6.724 -2.254 1.00 0.17 N ATOM 517 CA THR A 533 -8.868 6.750 -0.924 1.00 0.18 C ATOM 518 C THR A 533 -8.024 5.886 -0.018 1.00 0.17 C ATOM 519 O THR A 533 -7.399 4.929 -0.470 1.00 0.18 O ATOM 520 CB THR A 533 -10.319 6.225 -0.903 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.323 4.810 -1.133 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.166 6.920 -1.956 1.00 0.28 C ATOM 0 H THR A 533 -8.545 5.902 -2.809 1.00 0.17 H new ATOM 0 HA THR A 533 -8.875 7.785 -0.581 1.00 0.18 H new ATOM 0 HB THR A 533 -10.748 6.439 0.076 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.047 4.581 -1.753 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.184 6.531 -1.919 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.180 7.992 -1.762 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.743 6.736 -2.943 1.00 0.28 H new ATOM 530 N GLU A 534 -8.007 6.217 1.257 1.00 0.19 N ATOM 531 CA GLU A 534 -7.322 5.405 2.241 1.00 0.20 C ATOM 532 C GLU A 534 -8.034 4.071 2.345 1.00 0.19 C ATOM 533 O GLU A 534 -7.420 3.026 2.546 1.00 0.20 O ATOM 534 CB GLU A 534 -7.266 6.125 3.587 1.00 0.23 C ATOM 535 CG GLU A 534 -6.735 7.555 3.474 1.00 0.27 C ATOM 536 CD GLU A 534 -6.696 8.281 4.806 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.703 8.237 5.547 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.671 8.928 5.106 1.00 1.64 O ATOM 0 H GLU A 534 -8.462 7.047 1.637 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.291 5.232 1.933 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.264 6.147 4.024 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.632 5.560 4.270 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.731 7.531 3.050 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.361 8.115 2.780 1.00 0.27 H new ATOM 545 N ASN A 535 -9.346 4.139 2.173 1.00 0.20 N ATOM 546 CA ASN A 535 -10.207 2.981 2.301 1.00 0.22 C ATOM 547 C ASN A 535 -9.860 1.892 1.289 1.00 0.21 C ATOM 548 O ASN A 535 -9.617 0.765 1.685 1.00 0.21 O ATOM 549 CB ASN A 535 -11.670 3.416 2.145 1.00 0.27 C ATOM 550 CG ASN A 535 -12.622 2.253 1.954 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.959 1.894 0.828 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.070 1.667 3.051 1.00 1.38 N ATOM 0 H ASN A 535 -9.840 5.001 1.941 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.054 2.552 3.291 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.970 3.981 3.027 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.753 4.089 1.292 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.721 0.885 2.982 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.764 1.997 3.967 1.00 1.38 H new ATOM 559 N ASP A 536 -9.735 2.238 0.007 1.00 0.21 N ATOM 560 CA ASP A 536 -9.523 1.224 -1.039 1.00 0.22 C ATOM 561 C ASP A 536 -8.138 0.603 -0.926 1.00 0.17 C ATOM 562 O ASP A 536 -7.965 -0.613 -1.025 1.00 0.16 O ATOM 563 CB ASP A 536 -9.694 1.825 -2.439 1.00 0.27 C ATOM 564 CG ASP A 536 -11.144 2.067 -2.806 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.850 1.091 -3.131 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.588 3.234 -2.786 1.00 0.61 O ATOM 0 H ASP A 536 -9.775 3.198 -0.334 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.276 0.450 -0.891 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.149 2.767 -2.493 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.246 1.155 -3.173 1.00 0.27 H new ATOM 571 N VAL A 537 -7.166 1.468 -0.715 1.00 0.15 N ATOM 572 CA VAL A 537 -5.770 1.062 -0.609 1.00 0.13 C ATOM 573 C VAL A 537 -5.602 0.083 0.561 1.00 0.12 C ATOM 574 O VAL A 537 -5.005 -0.998 0.429 1.00 0.13 O ATOM 575 CB VAL A 537 -4.859 2.301 -0.429 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.388 1.933 -0.459 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.153 3.316 -1.517 1.00 0.13 C ATOM 0 H VAL A 537 -7.316 2.472 -0.612 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.473 0.559 -1.529 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.074 2.730 0.550 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.785 2.832 -0.329 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.172 1.232 0.347 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.148 1.470 -1.416 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.510 4.186 -1.386 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.964 2.868 -2.493 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.197 3.624 -1.455 1.00 0.13 H new ATOM 587 N ILE A 538 -6.171 0.453 1.694 1.00 0.12 N ATOM 588 CA ILE A 538 -6.172 -0.405 2.865 1.00 0.12 C ATOM 589 C ILE A 538 -7.049 -1.644 2.655 1.00 0.12 C ATOM 590 O ILE A 538 -6.742 -2.718 3.177 1.00 0.12 O ATOM 591 CB ILE A 538 -6.609 0.353 4.128 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.598 1.445 4.468 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.752 -0.607 5.292 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.974 2.242 5.695 1.00 0.23 C ATOM 0 H ILE A 538 -6.641 1.348 1.828 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.144 -0.736 3.011 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.575 0.819 3.937 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.620 0.990 4.624 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.503 2.121 3.618 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -7.062 -0.058 6.181 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.502 -1.361 5.052 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.795 -1.094 5.482 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.215 3.001 5.882 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.938 2.724 5.534 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -6.041 1.576 6.555 1.00 0.23 H new ATOM 606 N ASN A 539 -8.147 -1.501 1.906 1.00 0.12 N ATOM 607 CA ASN A 539 -9.012 -2.645 1.611 1.00 0.14 C ATOM 608 C ASN A 539 -8.231 -3.733 0.910 1.00 0.15 C ATOM 609 O ASN A 539 -8.607 -4.895 0.964 1.00 0.17 O ATOM 610 CB ASN A 539 -10.220 -2.299 0.725 1.00 0.17 C ATOM 611 CG ASN A 539 -11.284 -1.442 1.386 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.418 -1.532 2.700 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.987 -0.700 0.710 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.454 -0.618 1.499 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.384 -2.976 2.580 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.861 -1.782 -0.165 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.681 -3.228 0.389 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.857 -0.655 -0.301 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.702 -0.127 1.158 1.00 0.21 H new ATOM 620 N LEU A 540 -7.179 -3.355 0.201 1.00 0.15 N ATOM 621 CA LEU A 540 -6.294 -4.338 -0.393 1.00 0.17 C ATOM 622 C LEU A 540 -5.389 -4.948 0.674 1.00 0.16 C ATOM 623 O LEU A 540 -5.162 -6.156 0.693 1.00 0.19 O ATOM 624 CB LEU A 540 -5.439 -3.677 -1.470 1.00 0.19 C ATOM 625 CG LEU A 540 -6.211 -3.071 -2.640 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.246 -2.487 -3.654 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.116 -4.105 -3.295 1.00 0.24 C ATOM 0 H LEU A 540 -6.921 -2.384 0.025 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.897 -5.128 -0.840 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.842 -2.892 -1.005 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.742 -4.418 -1.862 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.844 -2.272 -2.255 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.807 -2.057 -4.484 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.647 -1.710 -3.180 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.590 -3.274 -4.027 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.653 -3.645 -4.125 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.513 -4.933 -3.668 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.831 -4.479 -2.562 1.00 0.24 H new ATOM 639 N GLY A 541 -4.884 -4.093 1.564 1.00 0.14 N ATOM 640 CA GLY A 541 -4.005 -4.544 2.640 1.00 0.16 C ATOM 641 C GLY A 541 -4.612 -5.544 3.616 1.00 0.15 C ATOM 642 O GLY A 541 -4.021 -6.586 3.893 1.00 0.19 O ATOM 0 H GLY A 541 -5.068 -3.090 1.560 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.117 -4.993 2.194 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.673 -3.671 3.203 1.00 0.16 H new ATOM 646 N LEU A 542 -5.787 -5.233 4.128 1.00 0.13 N ATOM 647 CA LEU A 542 -6.365 -5.975 5.254 1.00 0.14 C ATOM 648 C LEU A 542 -6.681 -7.457 4.971 1.00 0.16 C ATOM 649 O LEU A 542 -6.462 -8.298 5.839 1.00 0.20 O ATOM 650 CB LEU A 542 -7.607 -5.255 5.763 1.00 0.13 C ATOM 651 CG LEU A 542 -7.325 -3.967 6.531 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.611 -3.199 6.773 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.639 -4.284 7.850 1.00 0.16 C ATOM 0 H LEU A 542 -6.370 -4.469 3.786 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.589 -5.996 6.019 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.250 -5.023 4.914 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.165 -5.933 6.409 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.661 -3.343 5.933 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.390 -2.284 7.322 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.070 -2.947 5.817 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.298 -3.814 7.354 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.442 -3.358 8.390 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.285 -4.924 8.451 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.697 -4.798 7.656 1.00 0.16 H new ATOM 665 N PRO A 543 -7.226 -7.822 3.803 1.00 0.17 N ATOM 666 CA PRO A 543 -7.557 -9.222 3.514 1.00 0.19 C ATOM 667 C PRO A 543 -6.348 -10.161 3.535 1.00 0.20 C ATOM 668 O PRO A 543 -6.498 -11.354 3.803 1.00 0.23 O ATOM 669 CB PRO A 543 -8.170 -9.158 2.114 1.00 0.22 C ATOM 670 CG PRO A 543 -8.658 -7.763 2.000 1.00 0.21 C ATOM 671 CD PRO A 543 -7.621 -6.943 2.701 1.00 0.17 C ATOM 0 HA PRO A 543 -8.220 -9.635 4.274 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.433 -9.387 1.345 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -8.983 -9.876 2.001 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.762 -7.463 0.957 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.637 -7.646 2.465 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.781 -6.705 2.049 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.024 -5.996 3.060 1.00 0.17 H new ATOM 679 N PHE A 544 -5.152 -9.643 3.258 1.00 0.20 N ATOM 680 CA PHE A 544 -3.954 -10.479 3.261 1.00 0.22 C ATOM 681 C PHE A 544 -3.166 -10.331 4.563 1.00 0.22 C ATOM 682 O PHE A 544 -2.298 -11.153 4.867 1.00 0.28 O ATOM 683 CB PHE A 544 -3.046 -10.119 2.083 1.00 0.23 C ATOM 684 CG PHE A 544 -3.704 -10.221 0.737 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.810 -11.442 0.087 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.209 -9.092 0.117 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.411 -11.530 -1.156 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.811 -9.173 -1.122 1.00 0.32 C ATOM 689 CZ PHE A 544 -4.913 -10.395 -1.759 1.00 0.33 C ATOM 0 H PHE A 544 -4.988 -8.662 3.032 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.284 -11.514 3.170 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.682 -9.101 2.219 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.175 -10.774 2.098 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.419 -12.333 0.556 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.131 -8.134 0.610 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.487 -12.486 -1.654 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.202 -8.283 -1.593 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.385 -10.462 -2.728 1.00 0.33 H new ATOM 699 N GLY A 545 -3.469 -9.294 5.332 1.00 0.19 N ATOM 700 CA GLY A 545 -2.737 -9.043 6.560 1.00 0.21 C ATOM 701 C GLY A 545 -3.305 -7.880 7.344 1.00 0.21 C ATOM 702 O GLY A 545 -4.329 -7.320 6.977 1.00 0.44 O ATOM 0 H GLY A 545 -4.208 -8.621 5.128 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.756 -9.939 7.180 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.693 -8.842 6.322 1.00 0.21 H new ATOM 706 N LYS A 546 -2.644 -7.497 8.420 1.00 0.27 N ATOM 707 CA LYS A 546 -3.141 -6.408 9.244 1.00 0.25 C ATOM 708 C LYS A 546 -2.468 -5.107 8.835 1.00 0.20 C ATOM 709 O LYS A 546 -1.239 -5.016 8.833 1.00 0.24 O ATOM 710 CB LYS A 546 -2.903 -6.689 10.731 1.00 0.35 C ATOM 711 CG LYS A 546 -3.501 -5.629 11.648 1.00 0.41 C ATOM 712 CD LYS A 546 -3.210 -5.911 13.114 1.00 0.92 C ATOM 713 CE LYS A 546 -1.727 -5.797 13.429 1.00 1.60 C ATOM 714 NZ LYS A 546 -1.441 -5.985 14.877 1.00 2.07 N ATOM 0 H LYS A 546 -1.772 -7.917 8.742 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.216 -6.320 9.090 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.330 -7.660 10.983 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.831 -6.755 10.914 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.100 -4.651 11.381 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.579 -5.584 11.495 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -3.768 -5.211 13.736 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.559 -6.912 13.368 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -1.177 -6.541 12.853 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -1.365 -4.818 13.114 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -0.418 -5.899 15.043 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -1.943 -5.259 15.427 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -1.761 -6.929 15.174 1.00 2.07 H new ATOM 728 N VAL A 547 -3.261 -4.110 8.477 1.00 0.16 N ATOM 729 CA VAL A 547 -2.728 -2.809 8.130 1.00 0.15 C ATOM 730 C VAL A 547 -2.511 -1.976 9.383 1.00 0.18 C ATOM 731 O VAL A 547 -3.461 -1.612 10.079 1.00 0.20 O ATOM 732 CB VAL A 547 -3.678 -2.074 7.161 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.215 -0.650 6.890 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.794 -2.853 5.862 1.00 0.14 C ATOM 0 H VAL A 547 -4.277 -4.180 8.420 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.769 -2.953 7.633 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.659 -2.012 7.632 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.910 -0.166 6.204 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -3.183 -0.093 7.827 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.220 -0.669 6.445 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.466 -2.329 5.182 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.810 -2.942 5.402 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.190 -3.848 6.068 1.00 0.14 H new ATOM 744 N THR A 548 -1.255 -1.697 9.674 1.00 0.20 N ATOM 745 CA THR A 548 -0.907 -0.875 10.814 1.00 0.23 C ATOM 746 C THR A 548 -0.722 0.578 10.408 1.00 0.23 C ATOM 747 O THR A 548 -1.111 1.489 11.137 1.00 0.27 O ATOM 748 CB THR A 548 0.378 -1.401 11.469 1.00 0.27 C ATOM 749 OG1 THR A 548 1.376 -1.605 10.459 1.00 0.26 O ATOM 750 CG2 THR A 548 0.118 -2.705 12.206 1.00 0.31 C ATOM 0 H THR A 548 -0.457 -2.030 9.133 1.00 0.20 H new ATOM 0 HA THR A 548 -1.727 -0.927 11.530 1.00 0.23 H new ATOM 0 HB THR A 548 0.728 -0.665 12.193 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.148 -1.030 10.642 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.044 -3.057 12.661 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.629 -2.541 12.983 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.248 -3.453 11.503 1.00 0.31 H new ATOM 758 N ASN A 549 -0.185 0.780 9.214 1.00 0.20 N ATOM 759 CA ASN A 549 0.088 2.120 8.710 1.00 0.21 C ATOM 760 C ASN A 549 -0.197 2.200 7.222 1.00 0.18 C ATOM 761 O ASN A 549 -0.217 1.187 6.524 1.00 0.20 O ATOM 762 CB ASN A 549 1.547 2.529 8.962 1.00 0.26 C ATOM 763 CG ASN A 549 1.850 2.857 10.406 1.00 0.40 C ATOM 764 OD1 ASN A 549 0.971 3.238 11.173 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.107 2.730 10.780 1.00 0.81 N ATOM 0 H ASN A 549 0.072 0.030 8.572 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.568 2.805 9.247 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.202 1.720 8.638 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.783 3.396 8.345 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.379 2.952 11.738 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.808 2.410 10.112 1.00 0.81 H new ATOM 772 N TYR A 550 -0.426 3.412 6.750 1.00 0.17 N ATOM 773 CA TYR A 550 -0.733 3.657 5.356 1.00 0.17 C ATOM 774 C TYR A 550 -0.445 5.113 5.024 1.00 0.17 C ATOM 775 O TYR A 550 -0.519 5.978 5.898 1.00 0.17 O ATOM 776 CB TYR A 550 -2.201 3.316 5.077 1.00 0.17 C ATOM 777 CG TYR A 550 -3.184 4.078 5.946 1.00 0.17 C ATOM 778 CD1 TYR A 550 -4.063 4.985 5.384 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.230 3.890 7.325 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.959 5.685 6.169 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.124 4.586 8.113 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.986 5.484 7.526 1.00 0.25 C ATOM 783 OH TYR A 550 -5.890 6.180 8.294 1.00 0.31 O ATOM 0 H TYR A 550 -0.404 4.254 7.325 1.00 0.17 H new ATOM 0 HA TYR A 550 -0.109 3.023 4.726 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.420 3.524 4.030 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.351 2.247 5.228 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -4.049 5.149 4.317 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.553 3.186 7.787 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.638 6.391 5.714 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.147 4.427 9.181 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.784 5.926 9.235 1.00 0.31 H new ATOM 793 N ILE A 551 -0.108 5.384 3.774 1.00 0.18 N ATOM 794 CA ILE A 551 0.276 6.720 3.348 1.00 0.16 C ATOM 795 C ILE A 551 -0.241 6.942 1.943 1.00 0.17 C ATOM 796 O ILE A 551 0.070 6.163 1.051 1.00 0.20 O ATOM 797 CB ILE A 551 1.814 6.883 3.329 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.417 6.561 4.703 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.207 8.285 2.891 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.931 6.592 4.736 1.00 0.20 C ATOM 0 H ILE A 551 -0.093 4.688 3.029 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.144 7.441 4.049 1.00 0.16 H new ATOM 0 HB ILE A 551 2.215 6.174 2.605 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.034 7.274 5.432 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.078 5.573 5.014 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.293 8.374 2.886 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.823 8.474 1.889 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.787 9.014 3.584 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.278 6.354 5.742 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.325 5.858 4.033 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.281 7.586 4.457 1.00 0.20 H new ATOM 812 N LEU A 552 -1.022 7.979 1.726 1.00 0.16 N ATOM 813 CA LEU A 552 -1.554 8.219 0.400 1.00 0.19 C ATOM 814 C LEU A 552 -0.852 9.391 -0.245 1.00 0.19 C ATOM 815 O LEU A 552 -1.037 10.530 0.175 1.00 0.26 O ATOM 816 CB LEU A 552 -3.053 8.476 0.436 1.00 0.27 C ATOM 817 CG LEU A 552 -3.924 7.280 0.774 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.365 7.640 0.509 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.523 6.057 -0.033 1.00 0.42 C ATOM 0 H LEU A 552 -1.299 8.658 2.435 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.377 7.320 -0.191 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.250 9.262 1.166 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.359 8.860 -0.537 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.791 7.029 1.826 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -6.003 6.789 0.748 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.648 8.490 1.129 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.487 7.901 -0.542 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.166 5.218 0.233 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.629 6.272 -1.096 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.486 5.802 0.184 1.00 0.42 H new ATOM 831 N MET A 553 -0.103 9.132 -1.299 1.00 0.18 N ATOM 832 CA MET A 553 0.660 10.199 -1.930 1.00 0.26 C ATOM 833 C MET A 553 -0.132 10.705 -3.119 1.00 0.26 C ATOM 834 O MET A 553 0.144 10.353 -4.271 1.00 0.25 O ATOM 835 CB MET A 553 2.016 9.681 -2.424 1.00 0.35 C ATOM 836 CG MET A 553 2.768 8.821 -1.425 1.00 0.56 C ATOM 837 SD MET A 553 4.025 7.797 -2.221 1.00 1.03 S ATOM 838 CE MET A 553 5.117 9.049 -2.886 1.00 0.80 C ATOM 0 H MET A 553 -0.005 8.214 -1.732 1.00 0.18 H new ATOM 0 HA MET A 553 0.835 10.993 -1.204 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.859 9.103 -3.335 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.640 10.534 -2.691 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.241 9.461 -0.680 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.063 8.181 -0.894 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.116 8.992 -3.974 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.772 10.035 -2.574 1.00 0.80 H new ATOM 0 HE3 MET A 553 6.128 8.884 -2.515 1.00 0.80 H new ATOM 848 N LYS A 554 -1.110 11.542 -2.818 1.00 0.32 N ATOM 849 CA LYS A 554 -1.948 12.166 -3.834 1.00 0.37 C ATOM 850 C LYS A 554 -1.147 12.907 -4.897 1.00 0.38 C ATOM 851 O LYS A 554 -1.584 12.999 -6.042 1.00 0.40 O ATOM 852 CB LYS A 554 -2.948 13.115 -3.174 1.00 0.47 C ATOM 853 CG LYS A 554 -3.616 12.542 -1.930 1.00 0.43 C ATOM 854 CD LYS A 554 -4.267 11.188 -2.191 1.00 0.37 C ATOM 855 CE LYS A 554 -5.115 10.750 -1.008 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.246 11.680 -0.753 1.00 1.03 N ATOM 0 H LYS A 554 -1.348 11.810 -1.863 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.477 11.361 -4.345 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.435 14.038 -2.906 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -3.718 13.377 -3.900 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.875 12.439 -1.138 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.371 13.242 -1.571 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -4.888 11.246 -3.085 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.496 10.442 -2.386 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.505 9.749 -1.193 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.489 10.689 -0.118 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.966 11.201 -0.175 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.898 12.519 -0.247 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.667 11.971 -1.658 1.00 1.03 H new ATOM 870 N SER A 555 0.020 13.419 -4.539 1.00 0.40 N ATOM 871 CA SER A 555 0.796 14.227 -5.460 1.00 0.44 C ATOM 872 C SER A 555 1.351 13.383 -6.608 1.00 0.38 C ATOM 873 O SER A 555 1.356 13.813 -7.759 1.00 0.38 O ATOM 874 CB SER A 555 1.927 14.925 -4.701 1.00 0.51 C ATOM 875 OG SER A 555 2.754 13.982 -4.037 1.00 0.50 O ATOM 0 H SER A 555 0.447 13.289 -3.622 1.00 0.40 H new ATOM 0 HA SER A 555 0.142 14.981 -5.899 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.526 15.514 -5.396 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.507 15.620 -3.974 1.00 0.51 H new ATOM 0 HG SER A 555 3.470 14.453 -3.561 1.00 0.50 H new ATOM 881 N THR A 556 1.815 12.178 -6.291 1.00 0.34 N ATOM 882 CA THR A 556 2.422 11.310 -7.293 1.00 0.32 C ATOM 883 C THR A 556 1.472 10.218 -7.784 1.00 0.27 C ATOM 884 O THR A 556 1.870 9.357 -8.570 1.00 0.28 O ATOM 885 CB THR A 556 3.690 10.642 -6.734 1.00 0.36 C ATOM 886 OG1 THR A 556 3.375 9.931 -5.526 1.00 0.34 O ATOM 887 CG2 THR A 556 4.768 11.674 -6.449 1.00 0.45 C ATOM 0 H THR A 556 1.782 11.782 -5.352 1.00 0.34 H new ATOM 0 HA THR A 556 2.670 11.952 -8.139 1.00 0.32 H new ATOM 0 HB THR A 556 4.066 9.945 -7.483 1.00 0.36 H new ATOM 0 HG1 THR A 556 2.402 9.896 -5.411 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.654 11.176 -6.055 1.00 0.45 H new ATOM 0 HG22 THR A 556 5.025 12.196 -7.371 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.400 12.392 -5.717 1.00 0.45 H new ATOM 895 N ASN A 557 0.223 10.256 -7.317 1.00 0.26 N ATOM 896 CA ASN A 557 -0.764 9.217 -7.642 1.00 0.26 C ATOM 897 C ASN A 557 -0.253 7.849 -7.179 1.00 0.21 C ATOM 898 O ASN A 557 -0.418 6.828 -7.852 1.00 0.25 O ATOM 899 CB ASN A 557 -1.067 9.196 -9.149 1.00 0.31 C ATOM 900 CG ASN A 557 -1.726 10.474 -9.651 1.00 0.38 C ATOM 901 OD1 ASN A 557 -1.479 11.570 -9.138 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.561 10.344 -10.669 1.00 1.28 N ATOM 0 H ASN A 557 -0.133 10.995 -6.711 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.692 9.446 -7.118 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.138 9.036 -9.697 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.717 8.350 -9.370 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.025 11.166 -11.056 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.740 9.422 -11.067 1.00 1.28 H new ATOM 909 N GLN A 558 0.366 7.855 -6.005 1.00 0.17 N ATOM 910 CA GLN A 558 1.009 6.674 -5.437 1.00 0.17 C ATOM 911 C GLN A 558 0.695 6.594 -3.955 1.00 0.16 C ATOM 912 O GLN A 558 0.129 7.528 -3.404 1.00 0.20 O ATOM 913 CB GLN A 558 2.520 6.737 -5.647 1.00 0.22 C ATOM 914 CG GLN A 558 2.933 6.638 -7.105 1.00 0.29 C ATOM 915 CD GLN A 558 4.430 6.755 -7.314 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.091 7.588 -6.524 1.00 0.78 O flip ATOM 917 NE2 GLN A 558 4.986 6.124 -8.207 1.00 0.84 N flip ATOM 0 H GLN A 558 0.437 8.684 -5.415 1.00 0.17 H new ATOM 0 HA GLN A 558 0.628 5.785 -5.939 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.898 7.672 -5.233 1.00 0.22 H new ATOM 0 HB3 GLN A 558 2.991 5.928 -5.088 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.590 5.685 -7.508 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.432 7.423 -7.671 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.446 5.491 -8.797 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.989 6.232 -8.360 1.00 0.84 H new ATOM 926 N ALA A 559 1.009 5.479 -3.311 1.00 0.15 N ATOM 927 CA ALA A 559 0.712 5.328 -1.896 1.00 0.14 C ATOM 928 C ALA A 559 1.598 4.263 -1.236 1.00 0.14 C ATOM 929 O ALA A 559 2.268 3.495 -1.914 1.00 0.16 O ATOM 930 CB ALA A 559 -0.758 5.000 -1.732 1.00 0.15 C ATOM 0 H ALA A 559 1.465 4.674 -3.741 1.00 0.15 H new ATOM 0 HA ALA A 559 0.932 6.268 -1.389 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.989 4.885 -0.673 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.360 5.807 -2.149 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.984 4.071 -2.256 1.00 0.15 H new ATOM 936 N PHE A 560 1.622 4.260 0.089 1.00 0.14 N ATOM 937 CA PHE A 560 2.319 3.222 0.856 1.00 0.15 C ATOM 938 C PHE A 560 1.340 2.467 1.741 1.00 0.14 C ATOM 939 O PHE A 560 0.341 3.026 2.204 1.00 0.16 O ATOM 940 CB PHE A 560 3.427 3.794 1.750 1.00 0.16 C ATOM 941 CG PHE A 560 4.631 4.339 1.031 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.749 3.554 0.828 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.621 5.629 0.525 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.839 4.043 0.133 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.710 6.127 -0.164 1.00 0.35 C ATOM 946 CZ PHE A 560 6.888 5.362 -0.228 1.00 0.30 C ATOM 0 H PHE A 560 1.165 4.968 0.664 1.00 0.14 H new ATOM 0 HA PHE A 560 2.772 2.555 0.123 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.001 4.590 2.361 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.758 3.011 2.432 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.772 2.547 1.217 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.751 6.253 0.671 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.654 3.383 -0.126 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.657 7.091 -0.647 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.815 5.808 -0.556 1.00 0.30 H new ATOM 956 N LEU A 561 1.643 1.201 1.976 1.00 0.14 N ATOM 957 CA LEU A 561 0.795 0.342 2.784 1.00 0.14 C ATOM 958 C LEU A 561 1.653 -0.523 3.707 1.00 0.16 C ATOM 959 O LEU A 561 2.492 -1.296 3.246 1.00 0.18 O ATOM 960 CB LEU A 561 -0.060 -0.523 1.849 1.00 0.15 C ATOM 961 CG LEU A 561 -1.086 -1.447 2.509 1.00 0.17 C ATOM 962 CD1 LEU A 561 -2.095 -0.648 3.323 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.794 -2.271 1.442 1.00 0.20 C ATOM 0 H LEU A 561 2.479 0.742 1.614 1.00 0.14 H new ATOM 0 HA LEU A 561 0.138 0.944 3.412 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.590 0.139 1.164 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.610 -1.135 1.246 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.564 -2.118 3.191 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.813 -1.328 3.781 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.575 -0.091 4.102 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.621 0.048 2.669 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.524 -2.928 1.915 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.303 -1.604 0.746 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -1.063 -2.871 0.901 1.00 0.20 H new ATOM 975 N GLU A 562 1.449 -0.372 5.010 1.00 0.17 N ATOM 976 CA GLU A 562 2.221 -1.124 5.990 1.00 0.20 C ATOM 977 C GLU A 562 1.436 -2.324 6.491 1.00 0.18 C ATOM 978 O GLU A 562 0.259 -2.220 6.847 1.00 0.18 O ATOM 979 CB GLU A 562 2.628 -0.246 7.174 1.00 0.27 C ATOM 980 CG GLU A 562 3.712 -0.873 8.038 1.00 0.57 C ATOM 981 CD GLU A 562 4.090 -0.018 9.229 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.857 0.951 9.051 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.633 -0.315 10.351 1.00 1.21 O ATOM 0 H GLU A 562 0.758 0.262 5.411 1.00 0.17 H new ATOM 0 HA GLU A 562 3.125 -1.472 5.490 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.980 0.716 6.801 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.751 -0.047 7.790 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.370 -1.846 8.391 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.598 -1.049 7.428 1.00 0.57 H new ATOM 990 N MET A 563 2.113 -3.457 6.524 1.00 0.25 N ATOM 991 CA MET A 563 1.504 -4.727 6.872 1.00 0.23 C ATOM 992 C MET A 563 2.205 -5.307 8.092 1.00 0.27 C ATOM 993 O MET A 563 3.418 -5.154 8.248 1.00 0.39 O ATOM 994 CB MET A 563 1.606 -5.659 5.671 1.00 0.25 C ATOM 995 CG MET A 563 0.947 -5.058 4.445 1.00 0.25 C ATOM 996 SD MET A 563 1.729 -5.532 2.898 1.00 0.31 S ATOM 997 CE MET A 563 0.991 -4.325 1.797 1.00 0.25 C ATOM 0 H MET A 563 3.108 -3.522 6.309 1.00 0.25 H new ATOM 0 HA MET A 563 0.452 -4.597 7.124 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.655 -5.866 5.457 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.135 -6.613 5.908 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.100 -5.361 4.421 1.00 0.25 H new ATOM 0 HG3 MET A 563 0.962 -3.972 4.531 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.151 -4.630 0.763 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.079 -4.258 1.995 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.452 -3.351 1.963 1.00 0.25 H new ATOM 1007 N ALA A 564 1.432 -5.966 8.950 1.00 0.28 N ATOM 1008 CA ALA A 564 1.906 -6.380 10.268 1.00 0.33 C ATOM 1009 C ALA A 564 2.982 -7.452 10.198 1.00 0.27 C ATOM 1010 O ALA A 564 3.749 -7.626 11.143 1.00 0.40 O ATOM 1011 CB ALA A 564 0.743 -6.863 11.115 1.00 0.50 C ATOM 0 H ALA A 564 0.466 -6.227 8.754 1.00 0.28 H new ATOM 0 HA ALA A 564 2.360 -5.504 10.730 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.109 -7.169 12.095 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.019 -6.056 11.233 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.264 -7.711 10.626 1.00 0.50 H new ATOM 1017 N TYR A 565 3.035 -8.174 9.094 1.00 0.27 N ATOM 1018 CA TYR A 565 4.046 -9.201 8.908 1.00 0.37 C ATOM 1019 C TYR A 565 4.551 -9.190 7.472 1.00 0.33 C ATOM 1020 O TYR A 565 3.827 -8.808 6.549 1.00 0.29 O ATOM 1021 CB TYR A 565 3.488 -10.582 9.263 1.00 0.55 C ATOM 1022 CG TYR A 565 3.148 -10.754 10.728 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.828 -10.801 11.156 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.151 -10.869 11.683 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.516 -10.957 12.492 1.00 0.90 C ATOM 1026 CE2 TYR A 565 3.847 -11.025 13.021 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.531 -11.069 13.421 1.00 0.98 C ATOM 1028 OH TYR A 565 2.223 -11.225 14.754 1.00 1.15 O ATOM 0 H TYR A 565 2.390 -8.069 8.311 1.00 0.27 H new ATOM 0 HA TYR A 565 4.880 -8.986 9.576 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.592 -10.763 8.670 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.217 -11.341 8.979 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.032 -10.714 10.432 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.185 -10.836 11.374 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.484 -10.991 12.808 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.639 -11.112 13.750 1.00 1.00 H new ATOM 0 HH TYR A 565 3.050 -11.290 15.275 1.00 1.15 H new ATOM 1038 N THR A 566 5.797 -9.615 7.299 1.00 0.39 N ATOM 1039 CA THR A 566 6.442 -9.617 5.991 1.00 0.40 C ATOM 1040 C THR A 566 5.751 -10.607 5.050 1.00 0.36 C ATOM 1041 O THR A 566 5.779 -10.443 3.827 1.00 0.35 O ATOM 1042 CB THR A 566 7.958 -9.927 6.095 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.600 -9.695 4.834 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.209 -11.361 6.535 1.00 0.57 C ATOM 0 H THR A 566 6.385 -9.966 8.055 1.00 0.39 H new ATOM 0 HA THR A 566 6.343 -8.614 5.577 1.00 0.40 H new ATOM 0 HB THR A 566 8.376 -9.260 6.849 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.557 -9.893 4.913 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.282 -11.540 6.596 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.757 -11.526 7.513 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.768 -12.046 5.811 1.00 0.57 H new ATOM 1052 N GLU A 567 5.133 -11.635 5.635 1.00 0.38 N ATOM 1053 CA GLU A 567 4.340 -12.607 4.883 1.00 0.40 C ATOM 1054 C GLU A 567 3.237 -11.918 4.082 1.00 0.31 C ATOM 1055 O GLU A 567 2.882 -12.359 2.987 1.00 0.32 O ATOM 1056 CB GLU A 567 3.704 -13.625 5.832 1.00 0.49 C ATOM 1057 CG GLU A 567 2.822 -12.987 6.895 1.00 0.55 C ATOM 1058 CD GLU A 567 1.942 -13.986 7.608 1.00 0.71 C ATOM 1059 OE1 GLU A 567 2.431 -14.661 8.534 1.00 0.89 O ATOM 1060 OE2 GLU A 567 0.749 -14.092 7.251 1.00 0.84 O ATOM 0 H GLU A 567 5.168 -11.816 6.638 1.00 0.38 H new ATOM 0 HA GLU A 567 5.013 -13.116 4.193 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.109 -14.330 5.252 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.492 -14.198 6.320 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.452 -12.479 7.625 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.196 -12.225 6.431 1.00 0.55 H new ATOM 1067 N ALA A 568 2.711 -10.829 4.629 1.00 0.26 N ATOM 1068 CA ALA A 568 1.598 -10.136 4.013 1.00 0.24 C ATOM 1069 C ALA A 568 2.074 -9.380 2.787 1.00 0.21 C ATOM 1070 O ALA A 568 1.447 -9.434 1.735 1.00 0.22 O ATOM 1071 CB ALA A 568 0.936 -9.194 5.007 1.00 0.25 C ATOM 0 H ALA A 568 3.041 -10.410 5.499 1.00 0.26 H new ATOM 0 HA ALA A 568 0.855 -10.870 3.702 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.103 -8.683 4.525 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.568 -9.765 5.859 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.663 -8.458 5.350 1.00 0.25 H new ATOM 1077 N ALA A 569 3.222 -8.722 2.924 1.00 0.19 N ATOM 1078 CA ALA A 569 3.766 -7.882 1.868 1.00 0.21 C ATOM 1079 C ALA A 569 4.074 -8.686 0.612 1.00 0.22 C ATOM 1080 O ALA A 569 3.753 -8.267 -0.499 1.00 0.24 O ATOM 1081 CB ALA A 569 5.022 -7.185 2.362 1.00 0.23 C ATOM 0 H ALA A 569 3.796 -8.757 3.766 1.00 0.19 H new ATOM 0 HA ALA A 569 3.013 -7.139 1.608 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.426 -6.557 1.568 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.779 -6.566 3.226 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.764 -7.931 2.647 1.00 0.23 H new ATOM 1087 N GLN A 570 4.688 -9.850 0.792 1.00 0.24 N ATOM 1088 CA GLN A 570 5.030 -10.700 -0.340 1.00 0.28 C ATOM 1089 C GLN A 570 3.768 -11.254 -0.990 1.00 0.27 C ATOM 1090 O GLN A 570 3.698 -11.383 -2.210 1.00 0.29 O ATOM 1091 CB GLN A 570 5.973 -11.837 0.077 1.00 0.34 C ATOM 1092 CG GLN A 570 5.472 -12.661 1.249 1.00 0.38 C ATOM 1093 CD GLN A 570 6.351 -13.864 1.536 1.00 0.51 C ATOM 1094 OE1 GLN A 570 6.121 -14.956 1.015 1.00 1.24 O ATOM 1095 NE2 GLN A 570 7.372 -13.673 2.352 1.00 1.04 N ATOM 0 H GLN A 570 4.957 -10.223 1.702 1.00 0.24 H new ATOM 0 HA GLN A 570 5.557 -10.088 -1.072 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.129 -12.497 -0.777 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.944 -11.413 0.334 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.424 -12.031 2.137 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.456 -12.999 1.043 1.00 0.38 H new ATOM 0 HE21 GLN A 570 7.530 -12.754 2.764 1.00 1.04 H new ATOM 0 HE22 GLN A 570 8.002 -14.445 2.570 1.00 1.04 H new ATOM 1104 N ALA A 571 2.765 -11.555 -0.169 1.00 0.26 N ATOM 1105 CA ALA A 571 1.492 -12.049 -0.669 1.00 0.27 C ATOM 1106 C ALA A 571 0.823 -11.009 -1.559 1.00 0.25 C ATOM 1107 O ALA A 571 0.241 -11.345 -2.590 1.00 0.27 O ATOM 1108 CB ALA A 571 0.579 -12.426 0.487 1.00 0.31 C ATOM 0 H ALA A 571 2.813 -11.464 0.846 1.00 0.26 H new ATOM 0 HA ALA A 571 1.681 -12.940 -1.267 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.370 -12.794 0.096 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.052 -13.205 1.085 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.400 -11.550 1.110 1.00 0.31 H new ATOM 1114 N MET A 572 0.922 -9.744 -1.156 1.00 0.25 N ATOM 1115 CA MET A 572 0.363 -8.644 -1.939 1.00 0.28 C ATOM 1116 C MET A 572 1.021 -8.602 -3.307 1.00 0.24 C ATOM 1117 O MET A 572 0.347 -8.567 -4.337 1.00 0.24 O ATOM 1118 CB MET A 572 0.612 -7.292 -1.260 1.00 0.37 C ATOM 1119 CG MET A 572 0.307 -7.251 0.225 1.00 0.47 C ATOM 1120 SD MET A 572 -1.446 -7.188 0.615 1.00 0.36 S ATOM 1121 CE MET A 572 -1.355 -7.106 2.404 1.00 0.33 C ATOM 0 H MET A 572 1.383 -9.455 -0.293 1.00 0.25 H new ATOM 0 HA MET A 572 -0.710 -8.816 -2.024 1.00 0.28 H new ATOM 0 HB2 MET A 572 1.656 -7.015 -1.408 1.00 0.37 H new ATOM 0 HB3 MET A 572 0.008 -6.535 -1.760 1.00 0.37 H new ATOM 0 HG2 MET A 572 0.742 -8.131 0.698 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.796 -6.380 0.661 1.00 0.47 H new ATOM 0 HE1 MET A 572 -2.255 -7.546 2.835 1.00 0.33 H new ATOM 0 HE2 MET A 572 -0.480 -7.657 2.749 1.00 0.33 H new ATOM 0 HE3 MET A 572 -1.275 -6.065 2.717 1.00 0.33 H new ATOM 1131 N VAL A 573 2.347 -8.641 -3.306 1.00 0.24 N ATOM 1132 CA VAL A 573 3.112 -8.541 -4.535 1.00 0.27 C ATOM 1133 C VAL A 573 2.817 -9.723 -5.448 1.00 0.25 C ATOM 1134 O VAL A 573 2.519 -9.543 -6.621 1.00 0.28 O ATOM 1135 CB VAL A 573 4.629 -8.474 -4.251 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.422 -8.362 -5.546 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.950 -7.307 -3.329 1.00 0.32 C ATOM 0 H VAL A 573 2.913 -8.742 -2.464 1.00 0.24 H new ATOM 0 HA VAL A 573 2.812 -7.618 -5.031 1.00 0.27 H new ATOM 0 HB VAL A 573 4.919 -9.399 -3.754 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.487 -8.316 -5.318 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.222 -9.232 -6.172 1.00 0.34 H new ATOM 0 HG13 VAL A 573 5.126 -7.457 -6.077 1.00 0.34 H new ATOM 0 HG21 VAL A 573 6.023 -7.277 -3.141 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.638 -6.375 -3.800 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.419 -7.432 -2.385 1.00 0.32 H new ATOM 1147 N GLN A 574 2.848 -10.927 -4.889 1.00 0.23 N ATOM 1148 CA GLN A 574 2.613 -12.130 -5.676 1.00 0.25 C ATOM 1149 C GLN A 574 1.215 -12.126 -6.277 1.00 0.23 C ATOM 1150 O GLN A 574 1.020 -12.538 -7.422 1.00 0.26 O ATOM 1151 CB GLN A 574 2.803 -13.387 -4.823 1.00 0.28 C ATOM 1152 CG GLN A 574 4.215 -13.558 -4.288 1.00 0.33 C ATOM 1153 CD GLN A 574 5.264 -13.567 -5.382 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.000 -13.977 -6.513 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.465 -13.127 -5.050 1.00 2.09 N ATOM 0 H GLN A 574 3.032 -11.095 -3.900 1.00 0.23 H new ATOM 0 HA GLN A 574 3.343 -12.139 -6.486 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.108 -13.354 -3.984 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.542 -14.262 -5.419 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.433 -12.751 -3.589 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.275 -14.490 -3.727 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.643 -12.796 -4.102 1.00 2.09 H new ATOM 0 HE22 GLN A 574 7.214 -13.119 -5.742 1.00 2.09 H new ATOM 1164 N TYR A 575 0.244 -11.661 -5.502 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.136 -11.657 -5.957 1.00 0.20 C ATOM 1166 C TYR A 575 -1.338 -10.638 -7.073 1.00 0.20 C ATOM 1167 O TYR A 575 -1.811 -10.983 -8.146 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.093 -11.364 -4.797 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.556 -11.512 -5.160 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.291 -10.436 -5.644 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.201 -12.735 -5.020 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.625 -10.575 -5.978 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.534 -12.882 -5.351 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.241 -11.800 -5.829 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.569 -11.945 -6.156 1.00 0.48 O ATOM 0 H TYR A 575 0.386 -11.285 -4.564 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.359 -12.649 -6.349 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.864 -12.036 -3.970 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.917 -10.349 -4.441 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.812 -9.475 -5.761 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.650 -13.585 -4.646 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.182 -9.729 -6.354 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.020 -13.840 -5.236 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.847 -12.871 -5.993 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.945 -9.393 -6.823 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.206 -8.301 -7.762 1.00 0.25 C ATOM 1187 C TYR A 576 -0.274 -8.314 -8.972 1.00 0.30 C ATOM 1188 O TYR A 576 -0.511 -7.604 -9.948 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.167 -6.954 -7.038 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.234 -6.848 -5.970 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.578 -6.867 -6.300 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.892 -6.694 -4.634 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.555 -6.733 -5.333 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.861 -6.568 -3.659 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.194 -6.722 -4.004 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.160 -6.450 -3.049 1.00 0.35 O ATOM 0 H TYR A 576 -0.445 -9.113 -5.979 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.209 -8.456 -8.160 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.186 -6.816 -6.584 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.299 -6.150 -7.762 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.868 -6.989 -7.333 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.850 -6.672 -4.352 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.593 -6.638 -5.617 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.583 -6.352 -2.638 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.873 -7.120 -3.105 1.00 0.35 H new ATOM 1206 N GLN A 577 0.791 -9.097 -8.909 1.00 0.31 N ATOM 1207 CA GLN A 577 1.610 -9.327 -10.093 1.00 0.38 C ATOM 1208 C GLN A 577 0.858 -10.204 -11.085 1.00 0.37 C ATOM 1209 O GLN A 577 0.896 -9.968 -12.293 1.00 0.42 O ATOM 1210 CB GLN A 577 2.954 -9.965 -9.735 1.00 0.45 C ATOM 1211 CG GLN A 577 3.947 -8.996 -9.112 1.00 0.52 C ATOM 1212 CD GLN A 577 4.574 -8.057 -10.126 1.00 1.04 C ATOM 1213 OE1 GLN A 577 3.971 -7.722 -11.147 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.798 -7.637 -9.857 1.00 1.57 N ATOM 0 H GLN A 577 1.107 -9.578 -8.067 1.00 0.31 H new ATOM 0 HA GLN A 577 1.815 -8.359 -10.550 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.781 -10.789 -9.043 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.394 -10.392 -10.636 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.441 -8.409 -8.345 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.734 -9.561 -8.613 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.264 -7.937 -9.001 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.277 -7.013 -10.506 1.00 1.57 H new ATOM 1223 N GLU A 578 0.168 -11.214 -10.572 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.616 -12.100 -11.420 1.00 0.38 C ATOM 1225 C GLU A 578 -2.024 -11.552 -11.647 1.00 0.33 C ATOM 1226 O GLU A 578 -2.565 -11.645 -12.751 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.687 -13.491 -10.792 1.00 0.42 C ATOM 1228 CG GLU A 578 0.667 -14.170 -10.673 1.00 0.52 C ATOM 1229 CD GLU A 578 1.307 -14.422 -12.022 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.114 -13.577 -12.465 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.013 -15.463 -12.646 1.00 1.31 O ATOM 0 H GLU A 578 0.135 -11.439 -9.578 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.123 -12.165 -12.390 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.133 -13.412 -9.801 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.348 -14.118 -11.390 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.330 -13.550 -10.070 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.550 -15.117 -10.147 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.607 -10.972 -10.606 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.923 -10.355 -10.688 1.00 0.28 C ATOM 1240 C LYS A 579 -3.919 -9.020 -9.949 1.00 0.25 C ATOM 1241 O LYS A 579 -4.163 -8.971 -8.744 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.987 -11.268 -10.070 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.141 -12.609 -10.769 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.268 -13.419 -10.156 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.446 -14.754 -10.861 1.00 1.69 C ATOM 1246 NZ LYS A 579 -7.601 -15.518 -10.316 1.00 2.46 N ATOM 0 H LYS A 579 -2.180 -10.916 -9.681 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.159 -10.194 -11.740 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.736 -11.443 -9.024 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.946 -10.751 -10.085 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.339 -12.449 -11.829 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.208 -13.168 -10.699 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.061 -13.590 -9.100 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.197 -12.851 -10.211 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.593 -14.585 -11.928 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -5.536 -15.345 -10.755 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -7.689 -16.422 -10.822 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.449 -15.702 -9.304 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.473 -14.965 -10.440 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.622 -7.924 -10.657 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.572 -6.582 -10.065 1.00 0.25 C ATOM 1262 C PRO A 580 -4.942 -6.093 -9.609 1.00 0.22 C ATOM 1263 O PRO A 580 -5.973 -6.613 -10.037 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.044 -5.702 -11.199 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.363 -6.444 -12.449 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.310 -7.904 -12.097 1.00 0.32 C ATOM 0 HA PRO A 580 -2.950 -6.563 -9.170 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.520 -4.721 -11.191 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.971 -5.536 -11.102 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.349 -6.170 -12.823 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.646 -6.207 -13.236 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.034 -8.482 -12.672 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.328 -8.330 -12.301 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.952 -5.085 -8.750 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.202 -4.532 -8.251 1.00 0.22 C ATOM 1276 C ALA A 581 -6.662 -3.408 -9.159 1.00 0.20 C ATOM 1277 O ALA A 581 -5.894 -2.505 -9.476 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.030 -4.021 -6.830 1.00 0.27 C ATOM 0 H ALA A 581 -4.113 -4.635 -8.385 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.956 -5.319 -8.243 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.975 -3.611 -6.474 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.724 -4.843 -6.182 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.268 -3.242 -6.813 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.909 -3.476 -9.586 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.417 -2.553 -10.583 1.00 0.26 C ATOM 1286 C ILE A 582 -9.199 -1.417 -9.936 1.00 0.28 C ATOM 1287 O ILE A 582 -10.194 -1.646 -9.246 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.325 -3.283 -11.596 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.601 -4.502 -12.176 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.747 -2.336 -12.711 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.475 -5.363 -13.063 1.00 0.51 C ATOM 0 H ILE A 582 -8.589 -4.161 -9.258 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.556 -2.136 -11.106 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.220 -3.625 -11.076 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.739 -4.162 -12.750 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.219 -5.111 -11.356 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.387 -2.867 -13.416 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.295 -1.495 -12.286 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.862 -1.968 -13.230 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.895 -6.206 -13.437 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.324 -5.733 -12.488 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.836 -4.770 -13.903 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.734 -0.194 -10.153 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.450 0.994 -9.709 1.00 0.33 C ATOM 1305 C ILE A 583 -9.715 1.903 -10.903 1.00 0.36 C ATOM 1306 O ILE A 583 -8.778 2.449 -11.485 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.660 1.794 -8.650 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.458 0.977 -7.371 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.373 3.102 -8.340 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.739 0.651 -6.632 1.00 0.51 C ATOM 0 H ILE A 583 -7.858 0.002 -10.637 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.383 0.658 -9.256 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.675 2.017 -9.060 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -7.951 0.046 -7.625 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.796 1.528 -6.702 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.806 3.657 -7.592 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.453 3.697 -9.250 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.371 2.890 -7.956 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.506 0.071 -5.739 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.238 1.576 -6.344 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.396 0.071 -7.280 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.984 2.040 -11.277 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.381 2.865 -12.422 1.00 0.47 C ATOM 1324 C ASN A 584 -10.681 2.389 -13.686 1.00 0.45 C ATOM 1325 O ASN A 584 -10.344 3.181 -14.570 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.067 4.348 -12.195 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.797 4.944 -11.010 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.871 4.485 -10.618 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.222 5.993 -10.446 1.00 0.91 N ATOM 0 H ASN A 584 -11.764 1.587 -10.801 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.460 2.759 -12.535 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.993 4.466 -12.047 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.329 4.908 -13.093 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.669 6.455 -9.654 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.332 6.340 -10.803 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.466 1.086 -13.759 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.818 0.494 -14.906 1.00 0.44 C ATOM 1338 C GLY A 585 -8.304 0.527 -14.829 1.00 0.39 C ATOM 1339 O GLY A 585 -7.626 0.079 -15.751 1.00 0.42 O ATOM 0 H GLY A 585 -10.733 0.421 -13.033 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.146 -0.541 -15.005 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.140 1.018 -15.806 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.766 1.043 -13.735 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.323 1.127 -13.578 1.00 0.32 C ATOM 1345 C GLU A 586 -5.812 0.017 -12.667 1.00 0.24 C ATOM 1346 O GLU A 586 -6.303 -0.162 -11.552 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.927 2.493 -13.016 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.230 3.646 -13.957 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.417 3.581 -15.233 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.234 3.982 -15.205 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.953 3.140 -16.273 1.00 1.79 O ATOM 0 H GLU A 586 -8.303 1.408 -12.948 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.867 1.004 -14.560 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.451 2.656 -12.074 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.861 2.489 -12.790 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.291 3.639 -14.205 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.028 4.589 -13.449 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.850 -0.739 -13.174 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.203 -1.799 -12.410 1.00 0.19 C ATOM 1360 C LYS A 587 -3.247 -1.220 -11.375 1.00 0.17 C ATOM 1361 O LYS A 587 -2.271 -0.554 -11.722 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.422 -2.721 -13.348 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.248 -3.290 -14.489 1.00 0.33 C ATOM 1364 CD LYS A 587 -3.382 -4.101 -15.439 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.134 -4.479 -16.705 1.00 1.10 C ATOM 1366 NZ LYS A 587 -4.618 -3.281 -17.442 1.00 1.67 N ATOM 0 H LYS A 587 -4.495 -0.637 -14.125 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.981 -2.364 -11.897 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.579 -2.169 -13.764 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.008 -3.545 -12.768 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.042 -3.920 -14.088 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.729 -2.478 -15.034 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -2.494 -3.526 -15.702 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.039 -5.005 -14.936 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -3.482 -5.065 -17.353 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -4.982 -5.114 -16.448 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -4.831 -3.541 -18.426 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.479 -2.917 -16.986 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -3.883 -2.545 -17.430 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.528 -1.472 -10.109 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.656 -1.033 -9.036 1.00 0.15 C ATOM 1382 C LEU A 588 -1.474 -1.978 -8.908 1.00 0.17 C ATOM 1383 O LEU A 588 -1.640 -3.201 -8.905 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.413 -0.977 -7.711 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.702 -0.159 -7.730 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.304 -0.096 -6.339 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.450 1.236 -8.270 1.00 0.16 C ATOM 0 H LEU A 588 -4.356 -1.980 -9.799 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.297 -0.032 -9.275 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.653 -1.995 -7.405 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.751 -0.563 -6.950 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.412 -0.652 -8.394 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.223 0.490 -6.366 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.528 -1.105 -5.993 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.595 0.372 -5.657 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.383 1.799 -8.273 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.722 1.745 -7.638 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.063 1.168 -9.287 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.291 -1.410 -8.786 1.00 0.17 N ATOM 1400 CA LEU A 589 0.921 -2.203 -8.692 1.00 0.19 C ATOM 1401 C LEU A 589 1.521 -2.078 -7.298 1.00 0.18 C ATOM 1402 O LEU A 589 1.990 -1.006 -6.906 1.00 0.18 O ATOM 1403 CB LEU A 589 1.926 -1.760 -9.760 1.00 0.23 C ATOM 1404 CG LEU A 589 3.235 -2.550 -9.808 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.967 -4.009 -10.134 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.176 -1.947 -10.834 1.00 0.38 C ATOM 0 H LEU A 589 -0.142 -0.402 -8.749 1.00 0.17 H new ATOM 0 HA LEU A 589 0.676 -3.250 -8.867 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.445 -1.829 -10.736 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.163 -0.709 -9.596 1.00 0.23 H new ATOM 0 HG LEU A 589 3.706 -2.497 -8.826 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.910 -4.554 -10.164 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.322 -4.440 -9.368 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.476 -4.081 -11.104 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.104 -2.519 -10.858 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.708 -1.975 -11.818 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.394 -0.914 -10.565 1.00 0.38 H new ATOM 1418 N ILE A 590 1.475 -3.170 -6.548 1.00 0.18 N ATOM 1419 CA ILE A 590 2.031 -3.202 -5.203 1.00 0.18 C ATOM 1420 C ILE A 590 3.397 -3.882 -5.212 1.00 0.20 C ATOM 1421 O ILE A 590 3.537 -5.005 -5.696 1.00 0.26 O ATOM 1422 CB ILE A 590 1.087 -3.933 -4.218 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.282 -3.239 -4.181 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.700 -3.989 -2.827 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.199 -3.727 -3.075 1.00 0.21 C ATOM 0 H ILE A 590 1.056 -4.050 -6.850 1.00 0.18 H new ATOM 0 HA ILE A 590 2.142 -2.172 -4.865 1.00 0.18 H new ATOM 0 HB ILE A 590 0.947 -4.956 -4.566 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.129 -2.166 -4.064 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.778 -3.388 -5.140 1.00 0.19 H new ATOM 0 HG21 ILE A 590 1.020 -4.507 -2.150 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.648 -4.525 -2.869 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.871 -2.976 -2.464 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.144 -3.185 -3.120 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.386 -4.793 -3.201 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.727 -3.553 -2.108 1.00 0.21 H new ATOM 1437 N ARG A 591 4.399 -3.195 -4.674 1.00 0.18 N ATOM 1438 CA ARG A 591 5.775 -3.684 -4.685 1.00 0.22 C ATOM 1439 C ARG A 591 6.490 -3.250 -3.410 1.00 0.18 C ATOM 1440 O ARG A 591 6.064 -2.307 -2.749 1.00 0.19 O ATOM 1441 CB ARG A 591 6.525 -3.141 -5.909 1.00 0.33 C ATOM 1442 CG ARG A 591 5.978 -3.642 -7.237 1.00 0.45 C ATOM 1443 CD ARG A 591 6.678 -2.993 -8.420 1.00 0.65 C ATOM 1444 NE ARG A 591 8.098 -3.335 -8.481 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.891 -3.054 -9.514 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.412 -2.422 -10.578 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.168 -3.408 -9.485 1.00 2.62 N ATOM 0 H ARG A 591 4.283 -2.289 -4.220 1.00 0.18 H new ATOM 0 HA ARG A 591 5.758 -4.773 -4.737 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.481 -2.052 -5.896 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.576 -3.419 -5.832 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.097 -4.724 -7.294 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.909 -3.436 -7.290 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.191 -3.306 -9.344 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.570 -1.910 -8.354 1.00 0.65 H new ATOM 0 HE ARG A 591 8.508 -3.819 -7.682 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.430 -2.148 -10.609 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.026 -2.211 -11.365 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.544 -3.896 -8.672 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.775 -3.193 -10.276 1.00 2.62 H new ATOM 1461 N MET A 592 7.572 -3.933 -3.068 1.00 0.17 N ATOM 1462 CA MET A 592 8.338 -3.587 -1.876 1.00 0.18 C ATOM 1463 C MET A 592 9.291 -2.442 -2.200 1.00 0.21 C ATOM 1464 O MET A 592 9.781 -2.337 -3.327 1.00 0.29 O ATOM 1465 CB MET A 592 9.117 -4.795 -1.352 1.00 0.19 C ATOM 1466 CG MET A 592 8.243 -5.974 -0.960 1.00 0.22 C ATOM 1467 SD MET A 592 9.197 -7.336 -0.262 1.00 0.29 S ATOM 1468 CE MET A 592 7.897 -8.516 0.078 1.00 0.34 C ATOM 0 H MET A 592 7.939 -4.726 -3.594 1.00 0.17 H new ATOM 0 HA MET A 592 7.646 -3.274 -1.095 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.823 -5.118 -2.117 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.704 -4.488 -0.486 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.499 -5.646 -0.234 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.699 -6.327 -1.836 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.246 -9.240 0.814 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.024 -7.993 0.469 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.627 -9.035 -0.842 1.00 0.34 H new ATOM 1478 N SER A 593 9.558 -1.591 -1.221 1.00 0.23 N ATOM 1479 CA SER A 593 10.360 -0.399 -1.456 1.00 0.26 C ATOM 1480 C SER A 593 11.847 -0.685 -1.299 1.00 0.25 C ATOM 1481 O SER A 593 12.276 -1.375 -0.373 1.00 0.27 O ATOM 1482 CB SER A 593 9.949 0.722 -0.505 1.00 0.34 C ATOM 1483 OG SER A 593 10.663 1.920 -0.777 1.00 1.37 O ATOM 0 H SER A 593 9.233 -1.702 -0.261 1.00 0.23 H new ATOM 0 HA SER A 593 10.179 -0.084 -2.484 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.879 0.906 -0.598 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.132 0.413 0.524 1.00 0.34 H new ATOM 0 HG SER A 593 10.377 2.620 -0.153 1.00 1.37 H new ATOM 1489 N THR A 594 12.617 -0.142 -2.223 1.00 0.27 N ATOM 1490 CA THR A 594 14.061 -0.268 -2.201 1.00 0.30 C ATOM 1491 C THR A 594 14.698 0.883 -1.423 1.00 0.31 C ATOM 1492 O THR A 594 15.874 0.827 -1.057 1.00 0.33 O ATOM 1493 CB THR A 594 14.621 -0.293 -3.633 1.00 0.35 C ATOM 1494 OG1 THR A 594 14.044 0.777 -4.394 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.323 -1.623 -4.311 1.00 0.38 C ATOM 0 H THR A 594 12.258 0.399 -3.010 1.00 0.27 H new ATOM 0 HA THR A 594 14.306 -1.206 -1.703 1.00 0.30 H new ATOM 0 HB THR A 594 15.703 -0.168 -3.583 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.403 0.761 -5.306 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.729 -1.615 -5.322 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.781 -2.432 -3.742 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.245 -1.776 -4.355 1.00 0.38 H new ATOM 1503 N ARG A 595 13.912 1.922 -1.164 1.00 0.32 N ATOM 1504 CA ARG A 595 14.450 3.164 -0.619 1.00 0.37 C ATOM 1505 C ARG A 595 14.171 3.315 0.874 1.00 0.37 C ATOM 1506 O ARG A 595 14.928 3.972 1.591 1.00 0.41 O ATOM 1507 CB ARG A 595 13.882 4.355 -1.387 1.00 0.41 C ATOM 1508 CG ARG A 595 14.210 4.303 -2.865 1.00 0.46 C ATOM 1509 CD ARG A 595 13.699 5.521 -3.614 1.00 0.56 C ATOM 1510 NE ARG A 595 13.985 5.413 -5.040 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.585 6.282 -5.963 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.897 7.366 -5.620 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.885 6.063 -7.235 1.00 2.75 N ATOM 0 H ARG A 595 12.904 1.930 -1.322 1.00 0.32 H new ATOM 0 HA ARG A 595 15.533 3.131 -0.738 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.800 4.383 -1.259 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.277 5.278 -0.963 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.290 4.228 -2.992 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.775 3.403 -3.300 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.625 5.622 -3.461 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.164 6.421 -3.213 1.00 0.56 H new ATOM 0 HE ARG A 595 14.533 4.611 -5.352 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.671 7.538 -4.640 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.595 8.026 -6.336 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.418 5.234 -7.498 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.583 6.723 -7.951 1.00 2.75 H new ATOM 1527 N TYR A 596 13.089 2.712 1.342 1.00 0.35 N ATOM 1528 CA TYR A 596 12.698 2.839 2.741 1.00 0.37 C ATOM 1529 C TYR A 596 12.668 1.491 3.443 1.00 0.35 C ATOM 1530 O TYR A 596 12.271 0.483 2.857 1.00 0.36 O ATOM 1531 CB TYR A 596 11.328 3.512 2.857 1.00 0.39 C ATOM 1532 CG TYR A 596 11.348 4.999 2.601 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.389 5.512 1.312 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.319 5.892 3.661 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.405 6.875 1.090 1.00 0.54 C ATOM 1536 CE2 TYR A 596 11.333 7.255 3.448 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.377 7.742 2.162 1.00 0.56 C ATOM 1538 OH TYR A 596 11.387 9.102 1.948 1.00 0.65 O ATOM 0 H TYR A 596 12.467 2.132 0.778 1.00 0.35 H new ATOM 0 HA TYR A 596 13.449 3.459 3.231 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.643 3.042 2.151 1.00 0.39 H new ATOM 0 HB3 TYR A 596 10.930 3.331 3.856 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.409 4.835 0.470 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.285 5.514 4.672 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.439 7.260 0.082 1.00 0.54 H new ATOM 0 HE2 TYR A 596 11.310 7.936 4.286 1.00 0.61 H new ATOM 0 HH TYR A 596 11.363 9.569 2.809 1.00 0.65 H new ATOM 1548 N LYS A 597 13.118 1.480 4.695 1.00 0.38 N ATOM 1549 CA LYS A 597 13.044 0.287 5.532 1.00 0.41 C ATOM 1550 C LYS A 597 12.001 0.464 6.620 1.00 0.41 C ATOM 1551 O LYS A 597 11.693 -0.473 7.354 1.00 0.48 O ATOM 1552 CB LYS A 597 14.390 -0.044 6.182 1.00 0.50 C ATOM 1553 CG LYS A 597 15.461 -0.513 5.206 1.00 0.62 C ATOM 1554 CD LYS A 597 15.975 0.629 4.342 1.00 1.29 C ATOM 1555 CE LYS A 597 16.978 0.147 3.310 1.00 1.67 C ATOM 1556 NZ LYS A 597 18.238 -0.339 3.936 1.00 2.18 N ATOM 0 H LYS A 597 13.539 2.288 5.153 1.00 0.38 H new ATOM 0 HA LYS A 597 12.765 -0.539 4.878 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.754 0.840 6.705 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.236 -0.818 6.934 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.291 -0.952 5.760 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.053 -1.297 4.568 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.136 1.109 3.837 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.440 1.384 4.976 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.534 -0.655 2.721 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.207 0.960 2.621 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.931 -0.563 3.193 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.624 0.400 4.558 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.041 -1.194 4.494 1.00 2.18 H new ATOM 1570 N GLU A 598 11.476 1.675 6.741 1.00 0.38 N ATOM 1571 CA GLU A 598 10.455 1.954 7.730 1.00 0.41 C ATOM 1572 C GLU A 598 9.477 2.997 7.207 1.00 0.34 C ATOM 1573 O GLU A 598 9.843 3.879 6.428 1.00 0.33 O ATOM 1574 CB GLU A 598 11.113 2.455 9.017 1.00 0.55 C ATOM 1575 CG GLU A 598 10.130 2.792 10.125 1.00 0.62 C ATOM 1576 CD GLU A 598 10.814 3.390 11.331 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.309 2.623 12.181 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.864 4.632 11.429 1.00 0.91 O ATOM 0 H GLU A 598 11.742 2.475 6.167 1.00 0.38 H new ATOM 0 HA GLU A 598 9.904 1.037 7.937 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.805 1.694 9.379 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.705 3.341 8.789 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.385 3.492 9.747 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.597 1.889 10.422 1.00 0.62 H new ATOM 1585 N LEU A 599 8.238 2.889 7.650 1.00 0.36 N ATOM 1586 CA LEU A 599 7.219 3.866 7.313 1.00 0.32 C ATOM 1587 C LEU A 599 6.919 4.770 8.496 1.00 0.33 C ATOM 1588 O LEU A 599 6.672 4.300 9.609 1.00 0.37 O ATOM 1589 CB LEU A 599 5.939 3.183 6.826 1.00 0.33 C ATOM 1590 CG LEU A 599 6.066 2.459 5.484 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.714 1.969 5.002 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.703 3.363 4.445 1.00 0.33 C ATOM 0 H LEU A 599 7.912 2.130 8.248 1.00 0.36 H new ATOM 0 HA LEU A 599 7.608 4.480 6.501 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.618 2.465 7.581 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.152 3.933 6.745 1.00 0.33 H new ATOM 0 HG LEU A 599 6.711 1.592 5.630 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.832 1.458 4.046 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.295 1.278 5.734 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.042 2.818 4.879 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.784 2.829 3.498 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.086 4.251 4.309 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.697 3.659 4.781 1.00 0.33 H new ATOM 1604 N GLN A 600 6.979 6.067 8.253 1.00 0.36 N ATOM 1605 CA GLN A 600 6.646 7.052 9.267 1.00 0.44 C ATOM 1606 C GLN A 600 5.367 7.783 8.891 1.00 0.39 C ATOM 1607 O GLN A 600 5.213 8.243 7.758 1.00 0.43 O ATOM 1608 CB GLN A 600 7.812 8.032 9.459 1.00 0.59 C ATOM 1609 CG GLN A 600 7.496 9.233 10.348 1.00 0.85 C ATOM 1610 CD GLN A 600 7.022 10.446 9.566 1.00 1.10 C ATOM 1611 OE1 GLN A 600 7.518 10.605 8.348 1.00 1.52 O flip ATOM 1612 NE2 GLN A 600 6.226 11.241 10.058 1.00 1.34 N flip ATOM 0 H GLN A 600 7.257 6.465 7.356 1.00 0.36 H new ATOM 0 HA GLN A 600 6.475 6.542 10.215 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.656 7.492 9.888 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.129 8.394 8.481 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.729 8.951 11.070 1.00 0.85 H new ATOM 0 HG3 GLN A 600 8.386 9.500 10.917 1.00 0.85 H new ATOM 0 HE21 GLN A 600 5.865 11.085 10.999 1.00 1.34 H new ATOM 0 HE22 GLN A 600 5.925 12.057 9.525 1.00 1.34 H new ATOM 1621 N LEU A 601 4.449 7.875 9.838 1.00 0.37 N ATOM 1622 CA LEU A 601 3.179 8.535 9.604 1.00 0.34 C ATOM 1623 C LEU A 601 3.299 10.043 9.782 1.00 0.39 C ATOM 1624 O LEU A 601 3.333 10.539 10.909 1.00 0.46 O ATOM 1625 CB LEU A 601 2.111 8.005 10.562 1.00 0.36 C ATOM 1626 CG LEU A 601 1.674 6.554 10.356 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.568 6.211 11.338 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.200 6.329 8.927 1.00 0.32 C ATOM 0 H LEU A 601 4.562 7.499 10.779 1.00 0.37 H new ATOM 0 HA LEU A 601 2.888 8.321 8.576 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.484 8.108 11.581 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.231 8.642 10.479 1.00 0.36 H new ATOM 0 HG LEU A 601 2.529 5.902 10.534 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.258 5.177 11.190 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.934 6.338 12.357 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.283 6.872 11.173 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.894 5.290 8.804 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.354 6.983 8.717 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.012 6.552 8.235 1.00 0.32 H new ATOM 1640 N LYS A 602 3.382 10.771 8.671 1.00 0.41 N ATOM 1641 CA LYS A 602 3.258 12.224 8.703 1.00 0.48 C ATOM 1642 C LYS A 602 1.851 12.595 9.157 1.00 0.46 C ATOM 1643 O LYS A 602 1.617 13.666 9.721 1.00 0.51 O ATOM 1644 CB LYS A 602 3.506 12.821 7.312 1.00 0.59 C ATOM 1645 CG LYS A 602 4.928 12.675 6.794 1.00 0.69 C ATOM 1646 CD LYS A 602 5.858 13.704 7.411 1.00 0.93 C ATOM 1647 CE LYS A 602 7.156 13.825 6.626 1.00 1.49 C ATOM 1648 NZ LYS A 602 6.920 14.283 5.227 1.00 1.73 N ATOM 0 H LYS A 602 3.534 10.380 7.741 1.00 0.41 H new ATOM 0 HA LYS A 602 4.000 12.623 9.395 1.00 0.48 H new ATOM 0 HB2 LYS A 602 2.827 12.347 6.603 1.00 0.59 H new ATOM 0 HB3 LYS A 602 3.252 13.881 7.337 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.295 11.673 7.016 1.00 0.69 H new ATOM 0 HG3 LYS A 602 4.933 12.783 5.709 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.360 14.673 7.444 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.079 13.425 8.441 1.00 0.93 H new ATOM 0 HE2 LYS A 602 7.821 14.526 7.130 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.663 12.860 6.611 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 7.776 14.750 4.865 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 6.693 13.464 4.627 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 6.126 14.955 5.211 1.00 1.73 H new ATOM 1662 N LYS A 603 0.923 11.687 8.893 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.469 11.845 9.276 1.00 0.48 C ATOM 1664 C LYS A 603 -0.808 10.797 10.328 1.00 0.54 C ATOM 1665 O LYS A 603 -0.441 9.634 10.181 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.375 11.663 8.055 1.00 0.58 C ATOM 1667 CG LYS A 603 -1.067 12.608 6.903 1.00 0.65 C ATOM 1668 CD LYS A 603 -1.339 14.058 7.271 1.00 0.79 C ATOM 1669 CE LYS A 603 -1.086 14.983 6.092 1.00 0.90 C ATOM 1670 NZ LYS A 603 -1.369 16.403 6.426 1.00 1.69 N ATOM 0 H LYS A 603 1.118 10.814 8.403 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.626 12.845 9.680 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -1.287 10.636 7.701 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.411 11.807 8.361 1.00 0.58 H new ATOM 0 HG2 LYS A 603 -0.022 12.497 6.612 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -1.670 12.334 6.037 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -2.372 14.164 7.604 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.703 14.349 8.107 1.00 0.79 H new ATOM 0 HE2 LYS A 603 -0.049 14.886 5.772 1.00 0.90 H new ATOM 0 HE3 LYS A 603 -1.709 14.677 5.252 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -1.183 16.999 5.594 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -2.365 16.502 6.707 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -0.757 16.704 7.211 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.541 4.866 12.582 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.692 3.459 12.938 1.00 0.48 C ATOM 1729 C ASN A 607 -8.868 2.594 11.694 1.00 0.43 C ATOM 1730 O ASN A 607 -9.787 2.799 10.900 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.888 3.275 13.874 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.997 1.861 14.403 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.653 1.010 13.807 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -9.349 1.600 15.527 1.00 1.33 N ATOM 0 HA ASN A 607 -7.784 3.142 13.450 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.800 3.967 14.711 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.804 3.533 13.343 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -9.383 0.663 15.930 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.815 2.335 15.991 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.973 1.634 11.535 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.962 0.775 10.364 1.00 0.22 C ATOM 1743 C VAL A 608 -8.796 -0.489 10.604 1.00 0.21 C ATOM 1744 O VAL A 608 -9.254 -1.133 9.659 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.506 0.416 9.975 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.462 -0.600 8.850 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.738 1.674 9.580 1.00 0.27 C ATOM 0 H VAL A 608 -7.237 1.429 12.211 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.415 1.317 9.534 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.032 -0.033 10.847 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.424 -0.827 8.605 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.969 -1.513 9.164 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.961 -0.192 7.971 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.717 1.407 9.309 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.227 2.147 8.728 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.721 2.368 10.420 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.015 -0.830 11.868 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.867 -1.966 12.217 1.00 0.33 C ATOM 1759 C ALA A 609 -11.291 -1.759 11.693 1.00 0.32 C ATOM 1760 O ALA A 609 -11.958 -2.702 11.251 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.873 -2.179 13.723 1.00 0.44 C ATOM 0 H ALA A 609 -8.617 -0.339 12.668 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.461 -2.860 11.743 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.511 -3.028 13.968 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.858 -2.377 14.066 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.254 -1.284 14.215 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.742 -0.511 11.717 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.051 -0.160 11.188 1.00 0.35 C ATOM 1769 C ALA A 610 -13.093 -0.397 9.683 1.00 0.30 C ATOM 1770 O ALA A 610 -14.149 -0.672 9.113 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.381 1.290 11.509 1.00 0.40 C ATOM 0 H ALA A 610 -11.218 0.276 12.099 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.800 -0.796 11.660 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.363 1.537 11.107 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.385 1.431 12.590 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.631 1.942 11.061 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.929 -0.308 9.051 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.811 -0.544 7.622 1.00 0.23 C ATOM 1779 C ILE A 611 -11.994 -2.035 7.333 1.00 0.22 C ATOM 1780 O ILE A 611 -12.491 -2.420 6.276 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.449 -0.048 7.082 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.302 1.452 7.353 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.326 -0.326 5.589 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.959 2.019 6.946 1.00 0.23 C ATOM 0 H ILE A 611 -11.050 -0.072 9.511 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.591 0.020 7.111 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.653 -0.587 7.595 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.088 1.987 6.820 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.456 1.636 8.416 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.360 0.031 5.231 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.405 -1.398 5.411 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -11.124 0.190 5.056 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.932 3.086 7.169 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.168 1.512 7.498 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.809 1.868 5.877 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.599 -2.876 8.290 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.867 -4.309 8.204 1.00 0.24 C ATOM 1798 C ILE A 612 -13.371 -4.545 8.159 1.00 0.27 C ATOM 1799 O ILE A 612 -13.866 -5.317 7.338 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.283 -5.078 9.414 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.779 -4.834 9.539 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.565 -6.568 9.282 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.158 -5.470 10.765 1.00 0.31 C ATOM 0 H ILE A 612 -11.095 -2.590 9.129 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.389 -4.678 7.296 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.767 -4.707 10.318 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.282 -5.221 8.649 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.595 -3.760 9.565 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.148 -7.095 10.140 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.642 -6.732 9.243 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.107 -6.945 8.368 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.090 -5.254 10.785 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.627 -5.066 11.662 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.309 -6.549 10.731 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.097 -3.838 9.021 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.557 -3.930 9.046 1.00 0.35 C ATOM 1817 C GLN A 613 -16.137 -3.443 7.720 1.00 0.34 C ATOM 1818 O GLN A 613 -17.160 -3.940 7.248 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.125 -3.101 10.198 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.602 -3.513 11.563 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.167 -2.669 12.690 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.469 -1.413 12.404 1.00 1.97 O flip ATOM 1823 NE2 GLN A 613 -16.327 -3.144 13.814 1.00 2.31 N flip ATOM 0 H GLN A 613 -13.702 -3.197 9.709 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.835 -4.973 9.195 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.887 -2.051 10.030 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.212 -3.187 10.194 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.849 -4.560 11.741 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.515 -3.437 11.568 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -16.082 -4.117 13.996 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.704 -2.564 14.564 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.448 -2.481 7.123 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.840 -1.934 5.827 1.00 0.33 C ATOM 1834 C ASP A 614 -15.703 -2.999 4.741 1.00 0.30 C ATOM 1835 O ASP A 614 -16.597 -3.176 3.915 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.990 -0.711 5.479 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.348 -0.113 4.134 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.735 -0.503 3.121 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.233 0.767 4.087 1.00 1.09 O ATOM 0 H ASP A 614 -14.608 -2.059 7.518 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.883 -1.623 5.885 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -15.116 0.046 6.253 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.937 -0.994 5.478 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.588 -3.724 4.770 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.346 -4.817 3.829 1.00 0.27 C ATOM 1846 C ILE A 615 -15.390 -5.915 3.997 1.00 0.32 C ATOM 1847 O ILE A 615 -15.813 -6.541 3.028 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.941 -5.425 4.025 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.869 -4.369 3.772 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.733 -6.620 3.105 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.478 -4.838 4.112 1.00 0.18 C ATOM 0 H ILE A 615 -13.833 -3.574 5.439 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.414 -4.399 2.825 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.859 -5.771 5.055 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.899 -4.075 2.723 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.099 -3.480 4.359 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.736 -7.031 3.262 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.479 -7.384 3.326 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.835 -6.302 2.067 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.765 -4.039 3.909 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.432 -5.105 5.168 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.229 -5.709 3.506 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.802 -6.150 5.234 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.835 -7.140 5.510 1.00 0.46 C ATOM 1865 C HIS A 616 -18.160 -6.724 4.878 1.00 0.44 C ATOM 1866 O HIS A 616 -18.928 -7.569 4.421 1.00 0.46 O ATOM 1867 CB HIS A 616 -17.009 -7.354 7.017 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.964 -8.240 7.630 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.616 -8.127 7.678 1.00 1.26 N flip ATOM 1870 CD2 HIS A 616 -16.269 -9.400 8.305 1.00 0.76 C flip ATOM 1871 CE1 HIS A 616 -14.138 -9.208 8.375 1.00 1.24 C flip ATOM 1872 NE2 HIS A 616 -15.157 -9.959 8.741 1.00 0.82 N flip ATOM 0 H HIS A 616 -15.440 -5.672 6.059 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.518 -8.084 5.068 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.988 -6.385 7.516 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.992 -7.787 7.201 1.00 0.59 H new ATOM 0 HD1 HIS A 616 -14.058 -7.376 7.271 1.00 1.26 H new ATOM 0 HD2 HIS A 616 -17.264 -9.792 8.454 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.099 -9.410 8.588 1.00 1.24 H new ATOM 1881 N SER A 617 -18.421 -5.422 4.852 1.00 0.45 N ATOM 1882 CA SER A 617 -19.628 -4.904 4.232 1.00 0.51 C ATOM 1883 C SER A 617 -19.516 -4.935 2.708 1.00 0.49 C ATOM 1884 O SER A 617 -20.484 -5.231 2.009 1.00 0.57 O ATOM 1885 CB SER A 617 -19.890 -3.475 4.705 1.00 0.58 C ATOM 1886 OG SER A 617 -19.957 -3.409 6.121 1.00 1.18 O ATOM 0 H SER A 617 -17.812 -4.709 5.253 1.00 0.45 H new ATOM 0 HA SER A 617 -20.462 -5.540 4.529 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.098 -2.819 4.344 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.824 -3.112 4.276 1.00 0.58 H new ATOM 0 HG SER A 617 -19.069 -3.579 6.499 1.00 1.18 H new