USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1309 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: B 60 CYS SG : rot -170:sc= 0 USER MOD Set 1.2: B 97 MET CE :methyl -127:sc= -0.437 (180deg=-1.9!) USER MOD Set 2.1: B 78 LYS NZ :NH3+ -140:sc= 1.12 (180deg=-0.299!) USER MOD Set 2.2: B 80 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 74 SER OG : rot 79:sc= 1.71 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -134:sc= 1.74 (180deg=-0.18!) USER MOD Set 3.3: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 56 HIS : no HD1:sc= 0.0777 K(o=-1.1,f=-1.7) USER MOD Set 4.2: A 60 CYS SG : rot -140:sc= -0.0371 USER MOD Set 4.3: A 97 MET CE :methyl -150:sc= -1.19 (180deg=-1.43) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.28) USER MOD Single : A 38 SER OG : rot 36:sc= -4.16! USER MOD Single : A 40 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 43 ASN : amide:sc= -0.852 K(o=-0.85,f=-0.26) USER MOD Single : A 46 TYR OH : rot -88:sc= 0.913 USER MOD Single : A 48 SER OG : rot -95:sc= 1.11 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 51 GLN : amide:sc=-0.00886 X(o=-0.0089,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.427 USER MOD Single : A 64 ASN : amide:sc= -4.7! C(o=-4.7!,f=-9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= -0.0377 (180deg=-1.1) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot -24:sc= 0.0369 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 90 SER OG : rot 180:sc= -0.68 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00504 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0.768 (180deg=0.736) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.08) USER MOD Single : B 24 GLN : amide:sc= -0.532! C(o=-0.53!,f=-4!) USER MOD Single : B 27 SER OG : rot 136:sc= 0.722 USER MOD Single : B 31 LYS NZ :NH3+ -159:sc= -0.0892 (180deg=-0.444) USER MOD Single : B 32 LYS NZ :NH3+ 167:sc= 0.208 (180deg=-0.595) USER MOD Single : B 36 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.16) USER MOD Single : B 38 SER OG : rot 30:sc= -3.88! USER MOD Single : B 40 TYR OH : rot 0:sc= 0.191 USER MOD Single : B 43 ASN : amide:sc= 1.82 K(o=1.8,f=-6.4!) USER MOD Single : B 46 TYR OH : rot 3:sc= 0.804 USER MOD Single : B 48 SER OG : rot 74:sc= 1.05 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 70:sc= 0.788 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= 0.0475 K(o=0.048,f=-1.8!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 167:sc= 0.811 (180deg=0.467) USER MOD Single : B 74 SER OG : rot -116:sc= 1.11 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 ASN : amide:sc=-0.00642 X(o=-0.0064,f=-0.22) USER MOD Single : B 90 SER OG : rot 168:sc= -1.86! USER MOD Single : B 100 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -161:sc= 0.337 (180deg=-0.0267) USER MOD Single : B 112 LYS NZ :NH3+ -156:sc= 2.4 (180deg=2.19) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.845 9.837 7.495 1.00 50.54 N ATOM 469 CA GLU A 33 -15.729 9.810 6.340 1.00 44.02 C ATOM 470 C GLU A 33 -15.250 8.810 5.308 1.00 61.22 C ATOM 471 O GLU A 33 -16.050 8.097 4.722 1.00 3.34 O ATOM 472 CB GLU A 33 -15.891 11.203 5.722 1.00 3.43 C ATOM 473 CG GLU A 33 -16.627 12.200 6.616 1.00 22.14 C ATOM 474 CD GLU A 33 -18.079 11.830 6.855 1.00 23.22 C ATOM 475 OE1 GLU A 33 -18.361 10.951 7.656 1.00 54.01 O ATOM 476 OE2 GLU A 33 -18.962 12.444 6.257 1.00 71.44 O ATOM 0 HA GLU A 33 -16.711 9.489 6.689 1.00 44.02 H new ATOM 0 HB2 GLU A 33 -14.904 11.602 5.487 1.00 3.43 H new ATOM 0 HB3 GLU A 33 -16.430 11.110 4.779 1.00 3.43 H new ATOM 0 HG2 GLU A 33 -16.113 12.266 7.575 1.00 22.14 H new ATOM 0 HG3 GLU A 33 -16.581 13.189 6.161 1.00 22.14 H new ATOM 483 N ILE A 34 -13.937 8.720 5.139 1.00 43.34 N ATOM 484 CA ILE A 34 -13.374 7.812 4.150 1.00 3.14 C ATOM 485 C ILE A 34 -13.529 6.357 4.564 1.00 44.02 C ATOM 486 O ILE A 34 -13.792 5.515 3.722 1.00 54.23 O ATOM 487 CB ILE A 34 -11.926 8.132 3.721 1.00 23.34 C ATOM 488 CG1 ILE A 34 -10.952 8.062 4.886 1.00 42.30 C ATOM 489 CG2 ILE A 34 -11.855 9.458 2.978 1.00 54.01 C ATOM 490 CD1 ILE A 34 -9.548 8.458 4.531 1.00 34.33 C ATOM 0 H ILE A 34 -13.250 9.258 5.667 1.00 43.34 H new ATOM 0 HA ILE A 34 -13.972 7.979 3.254 1.00 3.14 H new ATOM 0 HB ILE A 34 -11.611 7.356 3.023 1.00 23.34 H new ATOM 0 HG12 ILE A 34 -11.310 8.710 5.686 1.00 42.30 H new ATOM 0 HG13 ILE A 34 -10.944 7.045 5.279 1.00 42.30 H new ATOM 0 HG21 ILE A 34 -10.823 9.658 2.688 1.00 54.01 H new ATOM 0 HG22 ILE A 34 -12.480 9.409 2.086 1.00 54.01 H new ATOM 0 HG23 ILE A 34 -12.211 10.258 3.627 1.00 54.01 H new ATOM 0 HD11 ILE A 34 -8.914 8.382 5.414 1.00 34.33 H new ATOM 0 HD12 ILE A 34 -9.168 7.795 3.754 1.00 34.33 H new ATOM 0 HD13 ILE A 34 -9.541 9.485 4.167 1.00 34.33 H new ATOM 502 N ASP A 35 -13.418 6.051 5.879 1.00 11.34 N ATOM 503 CA ASP A 35 -13.602 4.660 6.301 1.00 44.00 C ATOM 504 C ASP A 35 -15.055 4.258 6.321 1.00 34.41 C ATOM 505 O ASP A 35 -15.382 3.096 6.113 1.00 64.51 O ATOM 506 CB ASP A 35 -12.826 4.189 7.576 1.00 14.53 C ATOM 507 CG ASP A 35 -12.992 4.977 8.830 1.00 24.05 C ATOM 508 OD1 ASP A 35 -14.038 4.860 9.452 1.00 25.14 O ATOM 509 OD2 ASP A 35 -12.039 5.661 9.258 1.00 3.42 O ATOM 0 H ASP A 35 -13.213 6.716 6.625 1.00 11.34 H new ATOM 0 HA ASP A 35 -13.101 4.101 5.511 1.00 44.00 H new ATOM 0 HB2 ASP A 35 -13.123 3.161 7.786 1.00 14.53 H new ATOM 0 HB3 ASP A 35 -11.764 4.171 7.332 1.00 14.53 H new ATOM 514 N LYS A 36 -15.927 5.231 6.536 1.00 5.44 N ATOM 515 CA LYS A 36 -17.384 5.023 6.469 1.00 53.43 C ATOM 516 C LYS A 36 -17.827 4.674 5.061 1.00 2.34 C ATOM 517 O LYS A 36 -18.897 4.157 4.849 1.00 62.04 O ATOM 518 CB LYS A 36 -18.112 6.284 6.920 1.00 4.21 C ATOM 519 CG LYS A 36 -18.006 6.569 8.405 1.00 25.03 C ATOM 520 CD LYS A 36 -18.542 7.950 8.752 1.00 74.43 C ATOM 521 CE LYS A 36 -19.984 8.147 8.316 1.00 72.21 C ATOM 522 NZ LYS A 36 -20.446 9.512 8.608 1.00 73.43 N ATOM 0 H LYS A 36 -15.656 6.188 6.762 1.00 5.44 H new ATOM 0 HA LYS A 36 -17.631 4.192 7.130 1.00 53.43 H new ATOM 0 HB2 LYS A 36 -17.713 7.136 6.369 1.00 4.21 H new ATOM 0 HB3 LYS A 36 -19.165 6.196 6.653 1.00 4.21 H new ATOM 0 HG2 LYS A 36 -18.560 5.813 8.961 1.00 25.03 H new ATOM 0 HG3 LYS A 36 -16.964 6.494 8.717 1.00 25.03 H new ATOM 0 HD2 LYS A 36 -18.468 8.104 9.829 1.00 74.43 H new ATOM 0 HD3 LYS A 36 -17.917 8.707 8.278 1.00 74.43 H new ATOM 0 HE2 LYS A 36 -20.074 7.951 7.248 1.00 72.21 H new ATOM 0 HE3 LYS A 36 -20.623 7.427 8.827 1.00 72.21 H new ATOM 0 HZ1 LYS A 36 -21.428 9.623 8.284 1.00 73.43 H new ATOM 0 HZ2 LYS A 36 -20.398 9.683 9.633 1.00 73.43 H new ATOM 0 HZ3 LYS A 36 -19.839 10.197 8.114 1.00 73.43 H new ATOM 536 N ARG A 37 -17.018 4.977 4.114 1.00 71.34 N ATOM 537 CA ARG A 37 -17.350 4.686 2.758 1.00 44.53 C ATOM 538 C ARG A 37 -16.248 3.860 2.131 1.00 71.10 C ATOM 539 O ARG A 37 -16.060 3.837 0.916 1.00 53.23 O ATOM 540 CB ARG A 37 -17.670 5.988 2.019 1.00 41.02 C ATOM 541 CG ARG A 37 -16.549 6.986 1.976 1.00 1.40 C ATOM 542 CD ARG A 37 -17.047 8.358 1.583 1.00 43.12 C ATOM 543 NE ARG A 37 -17.923 8.943 2.615 1.00 42.13 N ATOM 544 CZ ARG A 37 -18.327 10.227 2.648 1.00 21.33 C ATOM 545 NH1 ARG A 37 -18.010 11.056 1.661 1.00 34.13 N ATOM 546 NH2 ARG A 37 -19.071 10.669 3.659 1.00 60.33 N ATOM 0 H ARG A 37 -16.114 5.430 4.248 1.00 71.34 H new ATOM 0 HA ARG A 37 -18.251 4.076 2.694 1.00 44.53 H new ATOM 0 HB2 ARG A 37 -17.960 5.746 0.997 1.00 41.02 H new ATOM 0 HB3 ARG A 37 -18.533 6.454 2.493 1.00 41.02 H new ATOM 0 HG2 ARG A 37 -16.068 7.038 2.953 1.00 1.40 H new ATOM 0 HG3 ARG A 37 -15.792 6.655 1.265 1.00 1.40 H new ATOM 0 HD2 ARG A 37 -16.196 9.018 1.413 1.00 43.12 H new ATOM 0 HD3 ARG A 37 -17.591 8.290 0.641 1.00 43.12 H new ATOM 0 HE ARG A 37 -18.248 8.328 3.361 1.00 42.13 H new ATOM 0 HH11 ARG A 37 -17.457 10.721 0.872 1.00 34.13 H new ATOM 0 HH12 ARG A 37 -18.319 12.028 1.692 1.00 34.13 H new ATOM 0 HH21 ARG A 37 -19.337 10.034 4.412 1.00 60.33 H new ATOM 0 HH22 ARG A 37 -19.375 11.642 3.681 1.00 60.33 H new ATOM 560 N SER A 38 -15.547 3.149 2.990 1.00 22.34 N ATOM 561 CA SER A 38 -14.505 2.262 2.593 1.00 52.40 C ATOM 562 C SER A 38 -14.978 0.822 2.676 1.00 22.11 C ATOM 563 O SER A 38 -15.889 0.490 3.441 1.00 43.35 O ATOM 564 CB SER A 38 -13.280 2.454 3.476 1.00 1.24 C ATOM 565 OG SER A 38 -12.216 1.605 3.076 1.00 54.33 O ATOM 0 H SER A 38 -15.698 3.181 3.998 1.00 22.34 H new ATOM 0 HA SER A 38 -14.236 2.488 1.561 1.00 52.40 H new ATOM 0 HB2 SER A 38 -12.955 3.493 3.430 1.00 1.24 H new ATOM 0 HB3 SER A 38 -13.542 2.248 4.514 1.00 1.24 H new ATOM 0 HG SER A 38 -12.216 1.518 2.100 1.00 54.33 H new ATOM 571 N VAL A 39 -14.325 -0.022 1.931 1.00 21.41 N ATOM 572 CA VAL A 39 -14.664 -1.398 1.832 1.00 73.22 C ATOM 573 C VAL A 39 -13.392 -2.210 2.028 1.00 43.05 C ATOM 574 O VAL A 39 -12.287 -1.712 1.808 1.00 23.54 O ATOM 575 CB VAL A 39 -15.255 -1.734 0.414 1.00 43.33 C ATOM 576 CG1 VAL A 39 -15.843 -3.127 0.350 1.00 23.54 C ATOM 577 CG2 VAL A 39 -16.252 -0.719 -0.058 1.00 1.33 C ATOM 0 H VAL A 39 -13.521 0.243 1.363 1.00 21.41 H new ATOM 0 HA VAL A 39 -15.414 -1.636 2.587 1.00 73.22 H new ATOM 0 HB VAL A 39 -14.406 -1.697 -0.268 1.00 43.33 H new ATOM 0 HG11 VAL A 39 -16.238 -3.310 -0.649 1.00 23.54 H new ATOM 0 HG12 VAL A 39 -15.068 -3.860 0.574 1.00 23.54 H new ATOM 0 HG13 VAL A 39 -16.648 -3.216 1.080 1.00 23.54 H new ATOM 0 HG21 VAL A 39 -16.624 -1.005 -1.042 1.00 1.33 H new ATOM 0 HG22 VAL A 39 -17.084 -0.671 0.645 1.00 1.33 H new ATOM 0 HG23 VAL A 39 -15.774 0.259 -0.121 1.00 1.33 H new ATOM 587 N TYR A 40 -13.562 -3.415 2.420 1.00 62.31 N ATOM 588 CA TYR A 40 -12.524 -4.373 2.527 1.00 54.31 C ATOM 589 C TYR A 40 -12.719 -5.329 1.408 1.00 34.10 C ATOM 590 O TYR A 40 -13.796 -5.872 1.248 1.00 63.54 O ATOM 591 CB TYR A 40 -12.577 -5.141 3.857 1.00 74.41 C ATOM 592 CG TYR A 40 -11.778 -6.452 3.830 1.00 52.23 C ATOM 593 CD1 TYR A 40 -10.409 -6.485 4.021 1.00 63.30 C ATOM 594 CD2 TYR A 40 -12.428 -7.659 3.588 1.00 53.53 C ATOM 595 CE1 TYR A 40 -9.715 -7.686 3.979 1.00 40.13 C ATOM 596 CE2 TYR A 40 -11.765 -8.846 3.540 1.00 61.44 C ATOM 597 CZ TYR A 40 -10.405 -8.869 3.737 1.00 35.33 C ATOM 598 OH TYR A 40 -9.729 -10.074 3.671 1.00 31.23 O ATOM 0 H TYR A 40 -14.475 -3.781 2.689 1.00 62.31 H new ATOM 0 HA TYR A 40 -11.558 -3.870 2.488 1.00 54.31 H new ATOM 0 HB2 TYR A 40 -12.191 -4.504 4.653 1.00 74.41 H new ATOM 0 HB3 TYR A 40 -13.616 -5.361 4.101 1.00 74.41 H new ATOM 0 HD1 TYR A 40 -9.874 -5.565 4.205 1.00 63.30 H new ATOM 0 HD2 TYR A 40 -13.497 -7.653 3.433 1.00 53.53 H new ATOM 0 HE1 TYR A 40 -8.646 -7.702 4.133 1.00 40.13 H new ATOM 0 HE2 TYR A 40 -12.303 -9.763 3.349 1.00 61.44 H new ATOM 0 HH TYR A 40 -10.366 -10.797 3.496 1.00 31.23 H new ATOM 608 N VAL A 41 -11.725 -5.507 0.648 1.00 72.33 N ATOM 609 CA VAL A 41 -11.724 -6.404 -0.443 1.00 3.23 C ATOM 610 C VAL A 41 -10.696 -7.446 -0.140 1.00 50.00 C ATOM 611 O VAL A 41 -9.519 -7.164 -0.154 1.00 53.44 O ATOM 612 CB VAL A 41 -11.299 -5.656 -1.709 1.00 21.04 C ATOM 613 CG1 VAL A 41 -11.277 -6.572 -2.931 1.00 75.30 C ATOM 614 CG2 VAL A 41 -12.192 -4.458 -1.943 1.00 1.35 C ATOM 0 H VAL A 41 -10.841 -5.012 0.767 1.00 72.33 H new ATOM 0 HA VAL A 41 -12.711 -6.841 -0.594 1.00 3.23 H new ATOM 0 HB VAL A 41 -10.279 -5.302 -1.556 1.00 21.04 H new ATOM 0 HG11 VAL A 41 -10.970 -6.002 -3.808 1.00 75.30 H new ATOM 0 HG12 VAL A 41 -10.572 -7.386 -2.763 1.00 75.30 H new ATOM 0 HG13 VAL A 41 -12.273 -6.983 -3.096 1.00 75.30 H new ATOM 0 HG21 VAL A 41 -11.875 -3.939 -2.847 1.00 1.35 H new ATOM 0 HG22 VAL A 41 -13.224 -4.790 -2.058 1.00 1.35 H new ATOM 0 HG23 VAL A 41 -12.122 -3.780 -1.092 1.00 1.35 H new ATOM 624 N GLY A 42 -11.103 -8.614 0.171 1.00 43.51 N ATOM 625 CA GLY A 42 -10.129 -9.579 0.523 1.00 31.32 C ATOM 626 C GLY A 42 -10.082 -10.732 -0.392 1.00 11.11 C ATOM 627 O GLY A 42 -10.950 -10.894 -1.264 1.00 75.45 O ATOM 0 H GLY A 42 -12.074 -8.925 0.191 1.00 43.51 H new ATOM 0 HA2 GLY A 42 -9.149 -9.103 0.544 1.00 31.32 H new ATOM 0 HA3 GLY A 42 -10.332 -9.936 1.533 1.00 31.32 H new ATOM 631 N ASN A 43 -9.076 -11.557 -0.161 1.00 34.35 N ATOM 632 CA ASN A 43 -8.768 -12.761 -0.958 1.00 3.31 C ATOM 633 C ASN A 43 -8.530 -12.445 -2.473 1.00 74.10 C ATOM 634 O ASN A 43 -8.441 -13.349 -3.303 1.00 22.41 O ATOM 635 CB ASN A 43 -9.872 -13.846 -0.712 1.00 12.45 C ATOM 636 CG ASN A 43 -9.571 -15.224 -1.304 1.00 44.31 C ATOM 637 OD1 ASN A 43 -8.886 -16.031 -0.684 1.00 61.42 O ATOM 638 ND2 ASN A 43 -10.132 -15.526 -2.444 1.00 44.30 N ATOM 0 H ASN A 43 -8.422 -11.414 0.609 1.00 34.35 H new ATOM 0 HA ASN A 43 -7.815 -13.168 -0.619 1.00 3.31 H new ATOM 0 HB2 ASN A 43 -10.020 -13.954 0.362 1.00 12.45 H new ATOM 0 HB3 ASN A 43 -10.813 -13.486 -1.129 1.00 12.45 H new ATOM 0 HD21 ASN A 43 -10.006 -16.456 -2.844 1.00 44.30 H new ATOM 0 HD22 ASN A 43 -10.696 -14.832 -2.935 1.00 44.30 H new ATOM 645 N VAL A 44 -8.393 -11.150 -2.800 1.00 23.01 N ATOM 646 CA VAL A 44 -8.105 -10.699 -4.173 1.00 64.02 C ATOM 647 C VAL A 44 -6.853 -11.374 -4.683 1.00 62.04 C ATOM 648 O VAL A 44 -5.904 -11.642 -3.921 1.00 74.35 O ATOM 649 CB VAL A 44 -8.012 -9.124 -4.296 1.00 1.30 C ATOM 650 CG1 VAL A 44 -6.842 -8.539 -3.535 1.00 33.34 C ATOM 651 CG2 VAL A 44 -8.007 -8.674 -5.752 1.00 21.13 C ATOM 0 H VAL A 44 -8.478 -10.390 -2.126 1.00 23.01 H new ATOM 0 HA VAL A 44 -8.946 -10.994 -4.801 1.00 64.02 H new ATOM 0 HB VAL A 44 -8.913 -8.731 -3.825 1.00 1.30 H new ATOM 0 HG11 VAL A 44 -6.833 -7.456 -3.658 1.00 33.34 H new ATOM 0 HG12 VAL A 44 -6.938 -8.783 -2.477 1.00 33.34 H new ATOM 0 HG13 VAL A 44 -5.912 -8.956 -3.921 1.00 33.34 H new ATOM 0 HG21 VAL A 44 -7.942 -7.587 -5.797 1.00 21.13 H new ATOM 0 HG22 VAL A 44 -7.150 -9.110 -6.265 1.00 21.13 H new ATOM 0 HG23 VAL A 44 -8.926 -9.003 -6.238 1.00 21.13 H new ATOM 661 N ASP A 45 -6.871 -11.701 -5.945 1.00 14.21 N ATOM 662 CA ASP A 45 -5.783 -12.395 -6.546 1.00 34.41 C ATOM 663 C ASP A 45 -4.694 -11.406 -6.793 1.00 3.14 C ATOM 664 O ASP A 45 -4.971 -10.221 -7.026 1.00 34.53 O ATOM 665 CB ASP A 45 -6.227 -13.076 -7.855 1.00 5.44 C ATOM 666 CG ASP A 45 -5.096 -13.812 -8.565 1.00 60.43 C ATOM 667 OD1 ASP A 45 -4.812 -14.978 -8.229 1.00 14.41 O ATOM 668 OD2 ASP A 45 -4.481 -13.232 -9.445 1.00 34.43 O ATOM 0 H ASP A 45 -7.642 -11.491 -6.579 1.00 14.21 H new ATOM 0 HA ASP A 45 -5.424 -13.184 -5.886 1.00 34.41 H new ATOM 0 HB2 ASP A 45 -7.029 -13.781 -7.636 1.00 5.44 H new ATOM 0 HB3 ASP A 45 -6.639 -12.323 -8.527 1.00 5.44 H new ATOM 673 N TYR A 46 -3.478 -11.874 -6.754 1.00 23.02 N ATOM 674 CA TYR A 46 -2.322 -11.018 -6.906 1.00 12.53 C ATOM 675 C TYR A 46 -2.336 -10.350 -8.300 1.00 60.24 C ATOM 676 O TYR A 46 -1.712 -9.303 -8.521 1.00 2.13 O ATOM 677 CB TYR A 46 -1.041 -11.819 -6.691 1.00 65.30 C ATOM 678 CG TYR A 46 0.164 -10.951 -6.480 1.00 54.21 C ATOM 679 CD1 TYR A 46 0.926 -10.499 -7.538 1.00 72.15 C ATOM 680 CD2 TYR A 46 0.529 -10.577 -5.199 1.00 74.25 C ATOM 681 CE1 TYR A 46 2.015 -9.698 -7.328 1.00 13.40 C ATOM 682 CE2 TYR A 46 1.618 -9.774 -4.971 1.00 73.31 C ATOM 683 CZ TYR A 46 2.364 -9.334 -6.051 1.00 3.23 C ATOM 684 OH TYR A 46 3.452 -8.523 -5.865 1.00 3.43 O ATOM 0 H TYR A 46 -3.254 -12.860 -6.616 1.00 23.02 H new ATOM 0 HA TYR A 46 -2.358 -10.231 -6.152 1.00 12.53 H new ATOM 0 HB2 TYR A 46 -1.168 -12.472 -5.827 1.00 65.30 H new ATOM 0 HB3 TYR A 46 -0.872 -12.462 -7.555 1.00 65.30 H new ATOM 0 HD1 TYR A 46 0.659 -10.781 -8.546 1.00 72.15 H new ATOM 0 HD2 TYR A 46 -0.056 -10.925 -4.360 1.00 74.25 H new ATOM 0 HE1 TYR A 46 2.600 -9.352 -8.167 1.00 13.40 H new ATOM 0 HE2 TYR A 46 1.889 -9.490 -3.965 1.00 73.31 H new ATOM 0 HH TYR A 46 4.261 -9.072 -5.793 1.00 3.43 H new ATOM 694 N GLY A 47 -3.072 -10.956 -9.214 1.00 20.43 N ATOM 695 CA GLY A 47 -3.226 -10.438 -10.531 1.00 12.30 C ATOM 696 C GLY A 47 -3.978 -9.122 -10.561 1.00 13.32 C ATOM 697 O GLY A 47 -3.791 -8.333 -11.493 1.00 11.30 O ATOM 0 H GLY A 47 -3.577 -11.826 -9.047 1.00 20.43 H new ATOM 0 HA2 GLY A 47 -2.242 -10.299 -10.979 1.00 12.30 H new ATOM 0 HA3 GLY A 47 -3.755 -11.168 -11.144 1.00 12.30 H new ATOM 701 N SER A 48 -4.794 -8.841 -9.547 1.00 61.32 N ATOM 702 CA SER A 48 -5.519 -7.612 -9.572 1.00 21.45 C ATOM 703 C SER A 48 -4.906 -6.536 -8.693 1.00 61.31 C ATOM 704 O SER A 48 -5.345 -6.310 -7.569 1.00 43.30 O ATOM 705 CB SER A 48 -6.993 -7.814 -9.279 1.00 24.02 C ATOM 706 OG SER A 48 -7.586 -8.589 -10.299 1.00 11.35 O ATOM 0 H SER A 48 -4.954 -9.435 -8.734 1.00 61.32 H new ATOM 0 HA SER A 48 -5.441 -7.242 -10.594 1.00 21.45 H new ATOM 0 HB2 SER A 48 -7.116 -8.310 -8.316 1.00 24.02 H new ATOM 0 HB3 SER A 48 -7.494 -6.848 -9.207 1.00 24.02 H new ATOM 0 HG SER A 48 -7.999 -7.997 -10.962 1.00 11.35 H new ATOM 712 N THR A 49 -3.815 -5.949 -9.162 1.00 10.33 N ATOM 713 CA THR A 49 -3.238 -4.792 -8.553 1.00 13.24 C ATOM 714 C THR A 49 -4.095 -3.533 -8.783 1.00 53.42 C ATOM 715 O THR A 49 -5.135 -3.606 -9.433 1.00 33.22 O ATOM 716 CB THR A 49 -1.784 -4.616 -8.997 1.00 10.32 C ATOM 717 OG1 THR A 49 -1.682 -4.832 -10.412 1.00 24.31 O ATOM 718 CG2 THR A 49 -0.880 -5.585 -8.255 1.00 2.03 C ATOM 0 H THR A 49 -3.311 -6.277 -9.986 1.00 10.33 H new ATOM 0 HA THR A 49 -3.225 -4.945 -7.474 1.00 13.24 H new ATOM 0 HB THR A 49 -1.465 -3.600 -8.764 1.00 10.32 H new ATOM 0 HG1 THR A 49 -0.751 -4.717 -10.694 1.00 24.31 H new ATOM 0 HG21 THR A 49 0.150 -5.446 -8.583 1.00 2.03 H new ATOM 0 HG22 THR A 49 -0.948 -5.398 -7.183 1.00 2.03 H new ATOM 0 HG23 THR A 49 -1.193 -6.608 -8.465 1.00 2.03 H new ATOM 726 N ALA A 50 -3.625 -2.381 -8.289 1.00 71.24 N ATOM 727 CA ALA A 50 -4.437 -1.158 -8.142 1.00 21.21 C ATOM 728 C ALA A 50 -5.238 -0.766 -9.404 1.00 22.02 C ATOM 729 O ALA A 50 -6.437 -0.569 -9.311 1.00 43.42 O ATOM 730 CB ALA A 50 -3.516 -0.024 -7.733 1.00 61.23 C ATOM 0 H ALA A 50 -2.661 -2.266 -7.976 1.00 71.24 H new ATOM 0 HA ALA A 50 -5.190 -1.361 -7.380 1.00 21.21 H new ATOM 0 HB1 ALA A 50 -4.096 0.892 -7.618 1.00 61.23 H new ATOM 0 HB2 ALA A 50 -3.034 -0.270 -6.787 1.00 61.23 H new ATOM 0 HB3 ALA A 50 -2.755 0.122 -8.500 1.00 61.23 H new ATOM 736 N GLN A 51 -4.587 -0.690 -10.564 1.00 31.22 N ATOM 737 CA GLN A 51 -5.278 -0.305 -11.812 1.00 63.32 C ATOM 738 C GLN A 51 -6.471 -1.223 -12.130 1.00 73.45 C ATOM 739 O GLN A 51 -7.594 -0.742 -12.356 1.00 11.11 O ATOM 740 CB GLN A 51 -4.296 -0.320 -12.994 1.00 53.12 C ATOM 741 CG GLN A 51 -3.132 0.645 -12.858 1.00 72.03 C ATOM 742 CD GLN A 51 -2.162 0.580 -14.026 1.00 42.23 C ATOM 743 OE1 GLN A 51 -2.343 1.251 -15.034 1.00 53.25 O ATOM 744 NE2 GLN A 51 -1.104 -0.159 -13.876 1.00 40.34 N ATOM 0 H GLN A 51 -3.592 -0.886 -10.674 1.00 31.22 H new ATOM 0 HA GLN A 51 -5.663 0.703 -11.659 1.00 63.32 H new ATOM 0 HB2 GLN A 51 -3.903 -1.330 -13.110 1.00 53.12 H new ATOM 0 HB3 GLN A 51 -4.843 -0.084 -13.907 1.00 53.12 H new ATOM 0 HG2 GLN A 51 -3.518 1.660 -12.771 1.00 72.03 H new ATOM 0 HG3 GLN A 51 -2.594 0.428 -11.935 1.00 72.03 H new ATOM 0 HE21 GLN A 51 -0.981 -0.707 -13.025 1.00 40.34 H new ATOM 0 HE22 GLN A 51 -0.396 -0.191 -14.610 1.00 40.34 H new ATOM 753 N ASP A 52 -6.231 -2.517 -12.131 1.00 24.54 N ATOM 754 CA ASP A 52 -7.281 -3.503 -12.445 1.00 13.42 C ATOM 755 C ASP A 52 -8.334 -3.536 -11.344 1.00 3.20 C ATOM 756 O ASP A 52 -9.560 -3.600 -11.608 1.00 2.34 O ATOM 757 CB ASP A 52 -6.667 -4.904 -12.626 1.00 62.44 C ATOM 758 CG ASP A 52 -7.695 -5.963 -12.996 1.00 72.43 C ATOM 759 OD1 ASP A 52 -8.062 -6.052 -14.190 1.00 73.30 O ATOM 760 OD2 ASP A 52 -8.141 -6.727 -12.118 1.00 71.11 O ATOM 0 H ASP A 52 -5.321 -2.926 -11.919 1.00 24.54 H new ATOM 0 HA ASP A 52 -7.760 -3.204 -13.378 1.00 13.42 H new ATOM 0 HB2 ASP A 52 -5.903 -4.862 -13.402 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -6.168 -5.198 -11.702 1.00 62.44 H new ATOM 765 N LEU A 53 -7.858 -3.428 -10.129 1.00 65.54 N ATOM 766 CA LEU A 53 -8.687 -3.535 -8.960 1.00 31.33 C ATOM 767 C LEU A 53 -9.650 -2.325 -8.911 1.00 40.04 C ATOM 768 O LEU A 53 -10.881 -2.498 -8.711 1.00 45.43 O ATOM 769 CB LEU A 53 -7.768 -3.594 -7.719 1.00 54.53 C ATOM 770 CG LEU A 53 -8.292 -4.326 -6.473 1.00 60.43 C ATOM 771 CD1 LEU A 53 -7.221 -4.333 -5.402 1.00 0.33 C ATOM 772 CD2 LEU A 53 -9.567 -3.731 -5.933 1.00 74.24 C ATOM 0 H LEU A 53 -6.873 -3.261 -9.924 1.00 65.54 H new ATOM 0 HA LEU A 53 -9.294 -4.440 -8.984 1.00 31.33 H new ATOM 0 HB2 LEU A 53 -6.833 -4.068 -8.017 1.00 54.53 H new ATOM 0 HB3 LEU A 53 -7.529 -2.570 -7.430 1.00 54.53 H new ATOM 0 HG LEU A 53 -8.530 -5.346 -6.773 1.00 60.43 H new ATOM 0 HD11 LEU A 53 -7.593 -4.852 -4.519 1.00 0.33 H new ATOM 0 HD12 LEU A 53 -6.335 -4.845 -5.777 1.00 0.33 H new ATOM 0 HD13 LEU A 53 -6.963 -3.307 -5.138 1.00 0.33 H new ATOM 0 HD21 LEU A 53 -9.886 -4.291 -5.054 1.00 74.24 H new ATOM 0 HD22 LEU A 53 -9.395 -2.691 -5.657 1.00 74.24 H new ATOM 0 HD23 LEU A 53 -10.343 -3.780 -6.696 1.00 74.24 H new ATOM 784 N GLU A 54 -9.114 -1.105 -9.132 1.00 64.11 N ATOM 785 CA GLU A 54 -9.950 0.082 -9.175 1.00 63.42 C ATOM 786 C GLU A 54 -11.000 -0.002 -10.232 1.00 1.24 C ATOM 787 O GLU A 54 -12.102 0.366 -9.987 1.00 12.34 O ATOM 788 CB GLU A 54 -9.186 1.390 -9.386 1.00 4.32 C ATOM 789 CG GLU A 54 -8.312 1.856 -8.248 1.00 62.11 C ATOM 790 CD GLU A 54 -7.956 3.311 -8.436 1.00 23.21 C ATOM 791 OE1 GLU A 54 -8.762 4.178 -8.041 1.00 63.44 O ATOM 792 OE2 GLU A 54 -6.921 3.622 -9.023 1.00 30.31 O ATOM 0 H GLU A 54 -8.120 -0.932 -9.280 1.00 64.11 H new ATOM 0 HA GLU A 54 -10.401 0.104 -8.183 1.00 63.42 H new ATOM 0 HB2 GLU A 54 -8.561 1.280 -10.272 1.00 4.32 H new ATOM 0 HB3 GLU A 54 -9.910 2.176 -9.603 1.00 4.32 H new ATOM 0 HG2 GLU A 54 -8.831 1.719 -7.300 1.00 62.11 H new ATOM 0 HG3 GLU A 54 -7.405 1.253 -8.204 1.00 62.11 H new ATOM 799 N ALA A 55 -10.653 -0.518 -11.399 1.00 4.02 N ATOM 800 CA ALA A 55 -11.598 -0.577 -12.520 1.00 53.21 C ATOM 801 C ALA A 55 -12.894 -1.285 -12.130 1.00 64.30 C ATOM 802 O ALA A 55 -14.024 -0.782 -12.398 1.00 24.04 O ATOM 803 CB ALA A 55 -10.961 -1.239 -13.735 1.00 14.53 C ATOM 0 H ALA A 55 -9.730 -0.902 -11.602 1.00 4.02 H new ATOM 0 HA ALA A 55 -11.854 0.449 -12.785 1.00 53.21 H new ATOM 0 HB1 ALA A 55 -11.682 -1.270 -14.552 1.00 14.53 H new ATOM 0 HB2 ALA A 55 -10.087 -0.667 -14.045 1.00 14.53 H new ATOM 0 HB3 ALA A 55 -10.658 -2.254 -13.479 1.00 14.53 H new ATOM 809 N HIS A 56 -12.740 -2.394 -11.429 1.00 11.14 N ATOM 810 CA HIS A 56 -13.889 -3.166 -10.996 1.00 44.14 C ATOM 811 C HIS A 56 -14.736 -2.354 -10.000 1.00 44.31 C ATOM 812 O HIS A 56 -15.955 -2.375 -10.060 1.00 32.20 O ATOM 813 CB HIS A 56 -13.467 -4.513 -10.383 1.00 12.51 C ATOM 814 CG HIS A 56 -14.622 -5.435 -10.077 1.00 73.44 C ATOM 815 ND1 HIS A 56 -15.073 -6.374 -10.964 1.00 53.31 N ATOM 816 CD2 HIS A 56 -15.411 -5.556 -8.979 1.00 22.35 C ATOM 817 CE1 HIS A 56 -16.082 -7.031 -10.444 1.00 61.04 C ATOM 818 NE2 HIS A 56 -16.315 -6.558 -9.235 1.00 33.44 N ATOM 0 H HIS A 56 -11.837 -2.778 -11.149 1.00 11.14 H new ATOM 0 HA HIS A 56 -14.496 -3.383 -11.875 1.00 44.14 H new ATOM 0 HB2 HIS A 56 -12.786 -5.016 -11.069 1.00 12.51 H new ATOM 0 HB3 HIS A 56 -12.912 -4.325 -9.464 1.00 12.51 H new ATOM 0 HD2 HIS A 56 -15.341 -4.973 -8.073 1.00 22.35 H new ATOM 0 HE1 HIS A 56 -16.631 -7.827 -10.926 1.00 61.04 H new ATOM 0 HE2 HIS A 56 -17.043 -6.881 -8.598 1.00 33.44 H new ATOM 827 N PHE A 57 -14.081 -1.638 -9.097 1.00 11.32 N ATOM 828 CA PHE A 57 -14.784 -0.837 -8.096 1.00 70.01 C ATOM 829 C PHE A 57 -15.237 0.519 -8.598 1.00 23.50 C ATOM 830 O PHE A 57 -16.170 1.108 -8.065 1.00 43.51 O ATOM 831 CB PHE A 57 -14.012 -0.737 -6.808 1.00 22.25 C ATOM 832 CG PHE A 57 -14.069 -1.999 -6.032 1.00 41.34 C ATOM 833 CD1 PHE A 57 -15.138 -2.243 -5.216 1.00 41.41 C ATOM 834 CD2 PHE A 57 -13.083 -2.943 -6.128 1.00 4.21 C ATOM 835 CE1 PHE A 57 -15.216 -3.405 -4.493 1.00 55.45 C ATOM 836 CE2 PHE A 57 -13.153 -4.102 -5.416 1.00 53.12 C ATOM 837 CZ PHE A 57 -14.218 -4.332 -4.601 1.00 61.31 C ATOM 0 H PHE A 57 -13.064 -1.593 -9.034 1.00 11.32 H new ATOM 0 HA PHE A 57 -15.703 -1.384 -7.884 1.00 70.01 H new ATOM 0 HB2 PHE A 57 -12.973 -0.491 -7.025 1.00 22.25 H new ATOM 0 HB3 PHE A 57 -14.413 0.078 -6.206 1.00 22.25 H new ATOM 0 HD1 PHE A 57 -15.930 -1.512 -5.140 1.00 41.41 H new ATOM 0 HD2 PHE A 57 -12.238 -2.767 -6.777 1.00 4.21 H new ATOM 0 HE1 PHE A 57 -16.059 -3.586 -3.843 1.00 55.45 H new ATOM 0 HE2 PHE A 57 -12.365 -4.836 -5.498 1.00 53.12 H new ATOM 0 HZ PHE A 57 -14.275 -5.251 -4.037 1.00 61.31 H new ATOM 847 N SER A 58 -14.585 0.989 -9.625 1.00 72.15 N ATOM 848 CA SER A 58 -14.851 2.286 -10.208 1.00 53.44 C ATOM 849 C SER A 58 -16.211 2.258 -10.874 1.00 25.44 C ATOM 850 O SER A 58 -16.864 3.292 -11.036 1.00 63.41 O ATOM 851 CB SER A 58 -13.737 2.675 -11.212 1.00 64.10 C ATOM 852 OG SER A 58 -13.937 3.974 -11.765 1.00 3.21 O ATOM 0 H SER A 58 -13.838 0.476 -10.093 1.00 72.15 H new ATOM 0 HA SER A 58 -14.857 3.045 -9.425 1.00 53.44 H new ATOM 0 HB2 SER A 58 -12.770 2.641 -10.710 1.00 64.10 H new ATOM 0 HB3 SER A 58 -13.704 1.941 -12.017 1.00 64.10 H new ATOM 0 HG SER A 58 -13.211 4.178 -12.391 1.00 3.21 H new ATOM 858 N SER A 59 -16.653 1.068 -11.261 1.00 12.30 N ATOM 859 CA SER A 59 -17.988 0.915 -11.782 1.00 64.03 C ATOM 860 C SER A 59 -19.052 1.195 -10.685 1.00 73.13 C ATOM 861 O SER A 59 -20.200 1.517 -10.985 1.00 72.21 O ATOM 862 CB SER A 59 -18.149 -0.485 -12.347 1.00 53.34 C ATOM 863 OG SER A 59 -17.130 -0.749 -13.309 1.00 62.14 O ATOM 0 H SER A 59 -16.106 0.208 -11.221 1.00 12.30 H new ATOM 0 HA SER A 59 -18.143 1.643 -12.578 1.00 64.03 H new ATOM 0 HB2 SER A 59 -18.098 -1.218 -11.542 1.00 53.34 H new ATOM 0 HB3 SER A 59 -19.131 -0.588 -12.809 1.00 53.34 H new ATOM 0 HG SER A 59 -17.243 -1.655 -13.665 1.00 62.14 H new ATOM 869 N CYS A 60 -18.661 1.062 -9.425 1.00 3.02 N ATOM 870 CA CYS A 60 -19.559 1.305 -8.311 1.00 43.34 C ATOM 871 C CYS A 60 -19.398 2.722 -7.724 1.00 71.33 C ATOM 872 O CYS A 60 -20.012 3.044 -6.706 1.00 60.43 O ATOM 873 CB CYS A 60 -19.322 0.261 -7.218 1.00 14.11 C ATOM 874 SG CYS A 60 -19.540 -1.447 -7.763 1.00 2.52 S ATOM 0 H CYS A 60 -17.719 0.785 -9.150 1.00 3.02 H new ATOM 0 HA CYS A 60 -20.578 1.225 -8.691 1.00 43.34 H new ATOM 0 HB2 CYS A 60 -18.310 0.380 -6.831 1.00 14.11 H new ATOM 0 HB3 CYS A 60 -20.005 0.456 -6.391 1.00 14.11 H new ATOM 0 HG CYS A 60 -20.141 -2.126 -6.832 1.00 2.52 H new ATOM 880 N GLY A 61 -18.619 3.572 -8.367 1.00 22.20 N ATOM 881 CA GLY A 61 -18.434 4.904 -7.827 1.00 52.33 C ATOM 882 C GLY A 61 -17.048 5.467 -8.025 1.00 52.33 C ATOM 883 O GLY A 61 -16.277 4.971 -8.844 1.00 42.15 O ATOM 0 H GLY A 61 -18.120 3.374 -9.234 1.00 22.20 H new ATOM 0 HA2 GLY A 61 -19.156 5.575 -8.292 1.00 52.33 H new ATOM 0 HA3 GLY A 61 -18.657 4.885 -6.760 1.00 52.33 H new ATOM 887 N SER A 62 -16.735 6.498 -7.277 1.00 73.11 N ATOM 888 CA SER A 62 -15.470 7.177 -7.378 1.00 73.10 C ATOM 889 C SER A 62 -14.564 6.844 -6.186 1.00 65.24 C ATOM 890 O SER A 62 -14.969 6.959 -5.018 1.00 44.43 O ATOM 891 CB SER A 62 -15.713 8.687 -7.513 1.00 44.40 C ATOM 892 OG SER A 62 -16.630 9.145 -6.523 1.00 50.12 O ATOM 0 H SER A 62 -17.360 6.892 -6.574 1.00 73.11 H new ATOM 0 HA SER A 62 -14.946 6.831 -8.269 1.00 73.10 H new ATOM 0 HB2 SER A 62 -14.768 9.222 -7.414 1.00 44.40 H new ATOM 0 HB3 SER A 62 -16.103 8.909 -8.506 1.00 44.40 H new ATOM 0 HG SER A 62 -16.769 10.110 -6.627 1.00 50.12 H new ATOM 898 N ILE A 63 -13.366 6.417 -6.487 1.00 12.21 N ATOM 899 CA ILE A 63 -12.404 6.020 -5.481 1.00 53.25 C ATOM 900 C ILE A 63 -11.578 7.215 -4.963 1.00 20.33 C ATOM 901 O ILE A 63 -11.120 8.059 -5.736 1.00 15.53 O ATOM 902 CB ILE A 63 -11.497 4.891 -6.026 1.00 34.21 C ATOM 903 CG1 ILE A 63 -12.366 3.656 -6.348 1.00 1.44 C ATOM 904 CG2 ILE A 63 -10.386 4.547 -5.046 1.00 53.35 C ATOM 905 CD1 ILE A 63 -11.614 2.476 -6.908 1.00 43.44 C ATOM 0 H ILE A 63 -13.023 6.333 -7.444 1.00 12.21 H new ATOM 0 HA ILE A 63 -12.955 5.635 -4.623 1.00 53.25 H new ATOM 0 HB ILE A 63 -11.012 5.235 -6.940 1.00 34.21 H new ATOM 0 HG12 ILE A 63 -12.877 3.343 -5.438 1.00 1.44 H new ATOM 0 HG13 ILE A 63 -13.136 3.949 -7.062 1.00 1.44 H new ATOM 0 HG21 ILE A 63 -9.768 3.750 -5.461 1.00 53.35 H new ATOM 0 HG22 ILE A 63 -9.770 5.429 -4.870 1.00 53.35 H new ATOM 0 HG23 ILE A 63 -10.822 4.215 -4.104 1.00 53.35 H new ATOM 0 HD11 ILE A 63 -12.310 1.660 -7.101 1.00 43.44 H new ATOM 0 HD12 ILE A 63 -11.125 2.764 -7.839 1.00 43.44 H new ATOM 0 HD13 ILE A 63 -10.862 2.149 -6.189 1.00 43.44 H new ATOM 917 N ASN A 64 -11.446 7.286 -3.649 1.00 60.21 N ATOM 918 CA ASN A 64 -10.698 8.347 -2.961 1.00 71.41 C ATOM 919 C ASN A 64 -9.272 7.853 -2.639 1.00 14.25 C ATOM 920 O ASN A 64 -8.277 8.530 -2.930 1.00 22.31 O ATOM 921 CB ASN A 64 -11.437 8.711 -1.651 1.00 60.42 C ATOM 922 CG ASN A 64 -10.853 9.889 -0.883 1.00 40.32 C ATOM 923 OD1 ASN A 64 -9.926 9.742 -0.114 1.00 1.14 O ATOM 924 ND2 ASN A 64 -11.448 11.049 -1.031 1.00 12.50 N ATOM 0 H ASN A 64 -11.858 6.603 -3.013 1.00 60.21 H new ATOM 0 HA ASN A 64 -10.630 9.227 -3.601 1.00 71.41 H new ATOM 0 HB2 ASN A 64 -12.477 8.933 -1.889 1.00 60.42 H new ATOM 0 HB3 ASN A 64 -11.439 7.838 -0.999 1.00 60.42 H new ATOM 0 HD21 ASN A 64 -11.133 11.856 -0.492 1.00 12.50 H new ATOM 0 HD22 ASN A 64 -12.225 11.144 -1.685 1.00 12.50 H new ATOM 931 N ARG A 65 -9.192 6.654 -2.073 1.00 3.11 N ATOM 932 CA ARG A 65 -7.918 6.044 -1.659 1.00 12.14 C ATOM 933 C ARG A 65 -8.064 4.542 -1.731 1.00 22.41 C ATOM 934 O ARG A 65 -9.176 4.034 -1.709 1.00 63.41 O ATOM 935 CB ARG A 65 -7.558 6.393 -0.189 1.00 74.45 C ATOM 936 CG ARG A 65 -7.505 7.866 0.149 1.00 54.12 C ATOM 937 CD ARG A 65 -7.162 8.089 1.613 1.00 53.22 C ATOM 938 NE ARG A 65 -5.763 7.806 1.941 1.00 2.43 N ATOM 939 CZ ARG A 65 -5.368 7.147 3.049 1.00 11.11 C ATOM 940 NH1 ARG A 65 -6.217 6.364 3.693 1.00 12.45 N ATOM 941 NH2 ARG A 65 -4.097 7.211 3.448 1.00 54.32 N ATOM 0 H ARG A 65 -10.007 6.070 -1.885 1.00 3.11 H new ATOM 0 HA ARG A 65 -7.138 6.423 -2.319 1.00 12.14 H new ATOM 0 HB2 ARG A 65 -8.288 5.916 0.466 1.00 74.45 H new ATOM 0 HB3 ARG A 65 -6.588 5.953 0.041 1.00 74.45 H new ATOM 0 HG2 ARG A 65 -6.762 8.358 -0.479 1.00 54.12 H new ATOM 0 HG3 ARG A 65 -8.467 8.327 -0.075 1.00 54.12 H new ATOM 0 HD2 ARG A 65 -7.385 9.123 1.876 1.00 53.22 H new ATOM 0 HD3 ARG A 65 -7.804 7.458 2.227 1.00 53.22 H new ATOM 0 HE ARG A 65 -5.044 8.127 1.292 1.00 2.43 H new ATOM 0 HH11 ARG A 65 -7.172 6.258 3.352 1.00 12.45 H new ATOM 0 HH12 ARG A 65 -5.917 5.866 4.531 1.00 12.45 H new ATOM 0 HH21 ARG A 65 -3.422 7.759 2.915 1.00 54.32 H new ATOM 0 HH22 ARG A 65 -3.800 6.712 4.286 1.00 54.32 H new ATOM 955 N ILE A 66 -6.965 3.839 -1.807 1.00 20.31 N ATOM 956 CA ILE A 66 -6.968 2.386 -1.766 1.00 52.30 C ATOM 957 C ILE A 66 -5.710 1.939 -1.065 1.00 62.24 C ATOM 958 O ILE A 66 -4.671 2.573 -1.191 1.00 42.33 O ATOM 959 CB ILE A 66 -7.048 1.675 -3.172 1.00 72.33 C ATOM 960 CG1 ILE A 66 -5.857 2.030 -4.042 1.00 63.23 C ATOM 961 CG2 ILE A 66 -8.341 1.994 -3.895 1.00 53.41 C ATOM 962 CD1 ILE A 66 -5.857 1.377 -5.404 1.00 3.21 C ATOM 0 H ILE A 66 -6.037 4.251 -1.899 1.00 20.31 H new ATOM 0 HA ILE A 66 -7.877 2.094 -1.240 1.00 52.30 H new ATOM 0 HB ILE A 66 -7.027 0.602 -2.981 1.00 72.33 H new ATOM 0 HG12 ILE A 66 -5.828 3.112 -4.172 1.00 63.23 H new ATOM 0 HG13 ILE A 66 -4.944 1.748 -3.518 1.00 63.23 H new ATOM 0 HG21 ILE A 66 -8.354 1.484 -4.858 1.00 53.41 H new ATOM 0 HG22 ILE A 66 -9.186 1.658 -3.295 1.00 53.41 H new ATOM 0 HG23 ILE A 66 -8.414 3.070 -4.053 1.00 53.41 H new ATOM 0 HD11 ILE A 66 -4.970 1.687 -5.956 1.00 3.21 H new ATOM 0 HD12 ILE A 66 -5.851 0.293 -5.288 1.00 3.21 H new ATOM 0 HD13 ILE A 66 -6.750 1.679 -5.952 1.00 3.21 H new ATOM 974 N THR A 67 -5.822 0.930 -0.291 1.00 41.21 N ATOM 975 CA THR A 67 -4.698 0.354 0.397 1.00 24.45 C ATOM 976 C THR A 67 -4.689 -1.133 0.086 1.00 4.20 C ATOM 977 O THR A 67 -5.676 -1.793 0.305 1.00 53.33 O ATOM 978 CB THR A 67 -4.810 0.615 1.917 1.00 32.12 C ATOM 979 OG1 THR A 67 -4.960 2.032 2.137 1.00 74.34 O ATOM 980 CG2 THR A 67 -3.575 0.122 2.655 1.00 4.42 C ATOM 0 H THR A 67 -6.708 0.460 -0.103 1.00 41.21 H new ATOM 0 HA THR A 67 -3.763 0.806 0.066 1.00 24.45 H new ATOM 0 HB THR A 67 -5.675 0.072 2.299 1.00 32.12 H new ATOM 0 HG1 THR A 67 -5.033 2.208 3.098 1.00 74.34 H new ATOM 0 HG21 THR A 67 -3.685 0.320 3.721 1.00 4.42 H new ATOM 0 HG22 THR A 67 -3.459 -0.950 2.495 1.00 4.42 H new ATOM 0 HG23 THR A 67 -2.694 0.642 2.278 1.00 4.42 H new ATOM 988 N ILE A 68 -3.607 -1.655 -0.411 1.00 0.13 N ATOM 989 CA ILE A 68 -3.573 -3.048 -0.792 1.00 24.41 C ATOM 990 C ILE A 68 -2.458 -3.698 -0.013 1.00 13.00 C ATOM 991 O ILE A 68 -1.346 -3.215 -0.050 1.00 22.43 O ATOM 992 CB ILE A 68 -3.254 -3.285 -2.321 1.00 42.34 C ATOM 993 CG1 ILE A 68 -4.016 -2.339 -3.288 1.00 54.44 C ATOM 994 CG2 ILE A 68 -3.499 -4.738 -2.706 1.00 55.32 C ATOM 995 CD1 ILE A 68 -3.285 -1.044 -3.548 1.00 24.13 C ATOM 0 H ILE A 68 -2.737 -1.146 -0.564 1.00 0.13 H new ATOM 0 HA ILE A 68 -4.562 -3.461 -0.590 1.00 24.41 H new ATOM 0 HB ILE A 68 -2.197 -3.044 -2.435 1.00 42.34 H new ATOM 0 HG12 ILE A 68 -4.180 -2.853 -4.235 1.00 54.44 H new ATOM 0 HG13 ILE A 68 -4.998 -2.117 -2.871 1.00 54.44 H new ATOM 0 HG21 ILE A 68 -3.273 -4.877 -3.763 1.00 55.32 H new ATOM 0 HG22 ILE A 68 -2.857 -5.386 -2.109 1.00 55.32 H new ATOM 0 HG23 ILE A 68 -4.543 -4.992 -2.522 1.00 55.32 H new ATOM 0 HD11 ILE A 68 -3.869 -0.427 -4.231 1.00 24.13 H new ATOM 0 HD12 ILE A 68 -3.144 -0.511 -2.608 1.00 24.13 H new ATOM 0 HD13 ILE A 68 -2.313 -1.258 -3.993 1.00 24.13 H new ATOM 1007 N LEU A 69 -2.734 -4.744 0.700 1.00 32.43 N ATOM 1008 CA LEU A 69 -1.688 -5.446 1.394 1.00 74.04 C ATOM 1009 C LEU A 69 -1.594 -6.866 0.925 1.00 2.23 C ATOM 1010 O LEU A 69 -2.601 -7.567 0.829 1.00 12.31 O ATOM 1011 CB LEU A 69 -1.744 -5.363 2.936 1.00 5.14 C ATOM 1012 CG LEU A 69 -2.982 -5.885 3.674 1.00 71.12 C ATOM 1013 CD1 LEU A 69 -2.633 -6.029 5.134 1.00 72.13 C ATOM 1014 CD2 LEU A 69 -4.167 -4.932 3.526 1.00 21.23 C ATOM 0 H LEU A 69 -3.669 -5.134 0.820 1.00 32.43 H new ATOM 0 HA LEU A 69 -0.773 -4.916 1.130 1.00 74.04 H new ATOM 0 HB2 LEU A 69 -0.880 -5.903 3.324 1.00 5.14 H new ATOM 0 HB3 LEU A 69 -1.616 -4.316 3.212 1.00 5.14 H new ATOM 0 HG LEU A 69 -3.273 -6.843 3.244 1.00 71.12 H new ATOM 0 HD11 LEU A 69 -3.500 -6.400 5.681 1.00 72.13 H new ATOM 0 HD12 LEU A 69 -1.807 -6.732 5.243 1.00 72.13 H new ATOM 0 HD13 LEU A 69 -2.339 -5.059 5.535 1.00 72.13 H new ATOM 0 HD21 LEU A 69 -5.027 -5.334 4.062 1.00 21.23 H new ATOM 0 HD22 LEU A 69 -3.905 -3.958 3.940 1.00 21.23 H new ATOM 0 HD23 LEU A 69 -4.416 -4.822 2.471 1.00 21.23 H new ATOM 1026 N CYS A 70 -0.411 -7.278 0.602 1.00 71.13 N ATOM 1027 CA CYS A 70 -0.165 -8.610 0.152 1.00 52.51 C ATOM 1028 C CYS A 70 0.746 -9.315 1.136 1.00 12.21 C ATOM 1029 O CYS A 70 1.796 -8.776 1.498 1.00 54.14 O ATOM 1030 CB CYS A 70 0.487 -8.574 -1.228 1.00 44.31 C ATOM 1031 SG CYS A 70 -0.477 -7.683 -2.474 1.00 61.03 S ATOM 0 H CYS A 70 0.422 -6.692 0.644 1.00 71.13 H new ATOM 0 HA CYS A 70 -1.109 -9.152 0.085 1.00 52.51 H new ATOM 0 HB2 CYS A 70 1.469 -8.109 -1.143 1.00 44.31 H new ATOM 0 HB3 CYS A 70 0.647 -9.597 -1.570 1.00 44.31 H new ATOM 0 HG CYS A 70 0.156 -7.704 -3.609 1.00 61.03 H new ATOM 1037 N ASP A 71 0.354 -10.485 1.604 1.00 13.14 N ATOM 1038 CA ASP A 71 1.202 -11.219 2.521 1.00 0.13 C ATOM 1039 C ASP A 71 1.782 -12.459 1.856 1.00 64.14 C ATOM 1040 O ASP A 71 1.070 -13.234 1.221 1.00 61.52 O ATOM 1041 CB ASP A 71 0.473 -11.610 3.841 1.00 31.42 C ATOM 1042 CG ASP A 71 -0.549 -12.718 3.693 1.00 62.21 C ATOM 1043 OD1 ASP A 71 -1.640 -12.460 3.185 1.00 35.13 O ATOM 1044 OD2 ASP A 71 -0.269 -13.868 4.128 1.00 24.14 O ATOM 0 H ASP A 71 -0.528 -10.940 1.370 1.00 13.14 H new ATOM 0 HA ASP A 71 2.014 -10.544 2.790 1.00 0.13 H new ATOM 0 HB2 ASP A 71 1.218 -11.917 4.575 1.00 31.42 H new ATOM 0 HB3 ASP A 71 -0.024 -10.726 4.242 1.00 31.42 H new ATOM 1049 N LYS A 72 3.085 -12.605 1.954 1.00 33.44 N ATOM 1050 CA LYS A 72 3.793 -13.794 1.511 1.00 75.45 C ATOM 1051 C LYS A 72 4.095 -14.679 2.676 1.00 55.13 C ATOM 1052 O LYS A 72 4.818 -15.660 2.548 1.00 24.51 O ATOM 1053 CB LYS A 72 5.066 -13.465 0.744 1.00 64.51 C ATOM 1054 CG LYS A 72 4.833 -13.047 -0.677 1.00 2.40 C ATOM 1055 CD LYS A 72 6.117 -12.597 -1.327 1.00 12.23 C ATOM 1056 CE LYS A 72 5.947 -12.468 -2.818 1.00 11.15 C ATOM 1057 NZ LYS A 72 5.846 -13.783 -3.482 1.00 4.13 N ATOM 0 H LYS A 72 3.696 -11.891 2.350 1.00 33.44 H new ATOM 0 HA LYS A 72 3.136 -14.321 0.819 1.00 75.45 H new ATOM 0 HB2 LYS A 72 5.595 -12.667 1.264 1.00 64.51 H new ATOM 0 HB3 LYS A 72 5.719 -14.338 0.752 1.00 64.51 H new ATOM 0 HG2 LYS A 72 4.409 -13.879 -1.239 1.00 2.40 H new ATOM 0 HG3 LYS A 72 4.104 -12.238 -0.706 1.00 2.40 H new ATOM 0 HD2 LYS A 72 6.426 -11.639 -0.908 1.00 12.23 H new ATOM 0 HD3 LYS A 72 6.910 -13.311 -1.108 1.00 12.23 H new ATOM 0 HE2 LYS A 72 5.051 -11.885 -3.031 1.00 11.15 H new ATOM 0 HE3 LYS A 72 6.791 -11.917 -3.232 1.00 11.15 H new ATOM 0 HZ1 LYS A 72 6.698 -13.949 -4.054 1.00 4.13 H new ATOM 0 HZ2 LYS A 72 5.761 -14.529 -2.763 1.00 4.13 H new ATOM 0 HZ3 LYS A 72 5.008 -13.798 -4.097 1.00 4.13 H new ATOM 1071 N PHE A 73 3.524 -14.336 3.829 1.00 62.11 N ATOM 1072 CA PHE A 73 3.560 -15.213 4.989 1.00 74.14 C ATOM 1073 C PHE A 73 2.931 -16.558 4.627 1.00 3.20 C ATOM 1074 O PHE A 73 3.255 -17.591 5.197 1.00 14.13 O ATOM 1075 CB PHE A 73 2.786 -14.617 6.164 1.00 74.14 C ATOM 1076 CG PHE A 73 3.517 -13.669 7.080 1.00 64.44 C ATOM 1077 CD1 PHE A 73 4.735 -14.020 7.637 1.00 3.54 C ATOM 1078 CD2 PHE A 73 2.942 -12.473 7.464 1.00 63.23 C ATOM 1079 CE1 PHE A 73 5.359 -13.197 8.550 1.00 43.42 C ATOM 1080 CE2 PHE A 73 3.572 -11.644 8.368 1.00 53.22 C ATOM 1081 CZ PHE A 73 4.776 -12.010 8.912 1.00 53.34 C ATOM 0 H PHE A 73 3.032 -13.456 3.981 1.00 62.11 H new ATOM 0 HA PHE A 73 4.602 -15.338 5.282 1.00 74.14 H new ATOM 0 HB2 PHE A 73 1.919 -14.092 5.762 1.00 74.14 H new ATOM 0 HB3 PHE A 73 2.408 -15.441 6.768 1.00 74.14 H new ATOM 0 HD1 PHE A 73 5.202 -14.951 7.352 1.00 3.54 H new ATOM 0 HD2 PHE A 73 1.987 -12.184 7.051 1.00 63.23 H new ATOM 0 HE1 PHE A 73 6.306 -13.487 8.980 1.00 43.42 H new ATOM 0 HE2 PHE A 73 3.117 -10.706 8.648 1.00 53.22 H new ATOM 0 HZ PHE A 73 5.265 -11.363 9.626 1.00 53.34 H new ATOM 1091 N SER A 74 2.058 -16.514 3.653 1.00 12.43 N ATOM 1092 CA SER A 74 1.362 -17.669 3.172 1.00 11.35 C ATOM 1093 C SER A 74 2.156 -18.371 2.028 1.00 62.00 C ATOM 1094 O SER A 74 1.658 -19.303 1.398 1.00 60.34 O ATOM 1095 CB SER A 74 -0.011 -17.221 2.662 1.00 50.15 C ATOM 1096 OG SER A 74 -0.717 -16.479 3.663 1.00 54.13 O ATOM 0 H SER A 74 1.809 -15.653 3.165 1.00 12.43 H new ATOM 0 HA SER A 74 1.252 -18.389 3.983 1.00 11.35 H new ATOM 0 HB2 SER A 74 0.112 -16.607 1.769 1.00 50.15 H new ATOM 0 HB3 SER A 74 -0.596 -18.093 2.371 1.00 50.15 H new ATOM 0 HG SER A 74 -0.378 -15.560 3.689 1.00 54.13 H new ATOM 1102 N GLY A 75 3.387 -17.912 1.750 1.00 63.24 N ATOM 1103 CA GLY A 75 4.194 -18.474 0.650 1.00 65.02 C ATOM 1104 C GLY A 75 3.783 -17.861 -0.678 1.00 53.05 C ATOM 1105 O GLY A 75 4.594 -17.323 -1.433 1.00 14.54 O ATOM 0 H GLY A 75 3.844 -17.160 2.266 1.00 63.24 H new ATOM 0 HA2 GLY A 75 5.252 -18.284 0.833 1.00 65.02 H new ATOM 0 HA3 GLY A 75 4.066 -19.556 0.613 1.00 65.02 H new ATOM 1109 N HIS A 76 2.519 -17.937 -0.919 1.00 25.14 N ATOM 1110 CA HIS A 76 1.907 -17.326 -2.062 1.00 53.34 C ATOM 1111 C HIS A 76 1.357 -16.007 -1.608 1.00 64.41 C ATOM 1112 O HIS A 76 0.694 -15.946 -0.571 1.00 14.14 O ATOM 1113 CB HIS A 76 0.828 -18.205 -2.716 1.00 70.24 C ATOM 1114 CG HIS A 76 1.371 -19.409 -3.435 1.00 74.34 C ATOM 1115 ND1 HIS A 76 1.313 -20.686 -2.936 1.00 22.14 N ATOM 1116 CD2 HIS A 76 1.962 -19.517 -4.648 1.00 75.30 C ATOM 1117 CE1 HIS A 76 1.842 -21.523 -3.802 1.00 45.40 C ATOM 1118 NE2 HIS A 76 2.241 -20.842 -4.849 1.00 23.30 N ATOM 0 H HIS A 76 1.863 -18.435 -0.317 1.00 25.14 H new ATOM 0 HA HIS A 76 2.652 -17.189 -2.846 1.00 53.34 H new ATOM 0 HB2 HIS A 76 0.130 -18.538 -1.947 1.00 70.24 H new ATOM 0 HB3 HIS A 76 0.259 -17.599 -3.422 1.00 70.24 H new ATOM 0 HD2 HIS A 76 2.174 -18.708 -5.331 1.00 75.30 H new ATOM 0 HE1 HIS A 76 1.932 -22.591 -3.672 1.00 45.40 H new ATOM 0 HE2 HIS A 76 2.687 -21.235 -5.678 1.00 23.30 H new ATOM 1127 N PRO A 77 1.643 -14.933 -2.335 1.00 75.20 N ATOM 1128 CA PRO A 77 1.210 -13.609 -1.949 1.00 52.25 C ATOM 1129 C PRO A 77 -0.291 -13.467 -2.067 1.00 42.35 C ATOM 1130 O PRO A 77 -0.875 -13.664 -3.144 1.00 15.03 O ATOM 1131 CB PRO A 77 1.931 -12.695 -2.933 1.00 14.34 C ATOM 1132 CG PRO A 77 2.174 -13.548 -4.128 1.00 73.33 C ATOM 1133 CD PRO A 77 2.387 -14.930 -3.606 1.00 23.31 C ATOM 0 HA PRO A 77 1.441 -13.376 -0.910 1.00 52.25 H new ATOM 0 HB2 PRO A 77 1.324 -11.825 -3.184 1.00 14.34 H new ATOM 0 HB3 PRO A 77 2.866 -12.322 -2.515 1.00 14.34 H new ATOM 0 HG2 PRO A 77 1.325 -13.515 -4.811 1.00 73.33 H new ATOM 0 HG3 PRO A 77 3.045 -13.202 -4.685 1.00 73.33 H new ATOM 0 HD2 PRO A 77 2.007 -15.683 -4.296 1.00 23.31 H new ATOM 0 HD3 PRO A 77 3.445 -15.143 -3.453 1.00 23.31 H new ATOM 1141 N LYS A 78 -0.913 -13.170 -0.978 1.00 61.10 N ATOM 1142 CA LYS A 78 -2.341 -13.017 -0.957 1.00 53.44 C ATOM 1143 C LYS A 78 -2.629 -11.562 -0.926 1.00 24.43 C ATOM 1144 O LYS A 78 -1.819 -10.808 -0.431 1.00 20.04 O ATOM 1145 CB LYS A 78 -2.953 -13.661 0.285 1.00 4.21 C ATOM 1146 CG LYS A 78 -2.475 -15.073 0.566 1.00 32.21 C ATOM 1147 CD LYS A 78 -3.397 -15.851 1.516 1.00 62.41 C ATOM 1148 CE LYS A 78 -4.009 -15.033 2.668 1.00 12.04 C ATOM 1149 NZ LYS A 78 -3.048 -14.616 3.699 1.00 33.51 N ATOM 0 H LYS A 78 -0.456 -13.025 -0.078 1.00 61.10 H new ATOM 0 HA LYS A 78 -2.769 -13.502 -1.835 1.00 53.44 H new ATOM 0 HB2 LYS A 78 -2.728 -13.037 1.150 1.00 4.21 H new ATOM 0 HB3 LYS A 78 -4.037 -13.674 0.174 1.00 4.21 H new ATOM 0 HG2 LYS A 78 -2.395 -15.616 -0.376 1.00 32.21 H new ATOM 0 HG3 LYS A 78 -1.474 -15.031 0.996 1.00 32.21 H new ATOM 0 HD2 LYS A 78 -4.208 -16.285 0.932 1.00 62.41 H new ATOM 0 HD3 LYS A 78 -2.833 -16.680 1.943 1.00 62.41 H new ATOM 0 HE2 LYS A 78 -4.485 -14.145 2.253 1.00 12.04 H new ATOM 0 HE3 LYS A 78 -4.794 -15.624 3.139 1.00 12.04 H new ATOM 0 HZ1 LYS A 78 -3.446 -14.804 4.641 1.00 33.51 H new ATOM 0 HZ2 LYS A 78 -2.163 -15.150 3.585 1.00 33.51 H new ATOM 0 HZ3 LYS A 78 -2.854 -13.599 3.602 1.00 33.51 H new ATOM 1163 N GLY A 79 -3.751 -11.164 -1.425 1.00 62.30 N ATOM 1164 CA GLY A 79 -4.043 -9.778 -1.441 1.00 34.55 C ATOM 1165 C GLY A 79 -5.288 -9.434 -0.683 1.00 20.40 C ATOM 1166 O GLY A 79 -6.298 -10.147 -0.747 1.00 21.12 O ATOM 0 H GLY A 79 -4.469 -11.771 -1.821 1.00 62.30 H new ATOM 0 HA2 GLY A 79 -3.202 -9.230 -1.016 1.00 34.55 H new ATOM 0 HA3 GLY A 79 -4.150 -9.447 -2.474 1.00 34.55 H new ATOM 1170 N TYR A 80 -5.208 -8.374 0.066 1.00 50.21 N ATOM 1171 CA TYR A 80 -6.345 -7.806 0.736 1.00 23.15 C ATOM 1172 C TYR A 80 -6.274 -6.347 0.336 1.00 52.43 C ATOM 1173 O TYR A 80 -5.174 -5.804 0.245 1.00 21.33 O ATOM 1174 CB TYR A 80 -6.224 -7.825 2.289 1.00 42.52 C ATOM 1175 CG TYR A 80 -5.795 -9.101 3.032 1.00 21.41 C ATOM 1176 CD1 TYR A 80 -5.130 -10.146 2.414 1.00 40.22 C ATOM 1177 CD2 TYR A 80 -6.012 -9.199 4.400 1.00 72.22 C ATOM 1178 CE1 TYR A 80 -4.703 -11.244 3.115 1.00 61.35 C ATOM 1179 CE2 TYR A 80 -5.592 -10.298 5.114 1.00 1.25 C ATOM 1180 CZ TYR A 80 -4.931 -11.324 4.461 1.00 10.33 C ATOM 1181 OH TYR A 80 -4.496 -12.437 5.152 1.00 23.21 O ATOM 0 H TYR A 80 -4.337 -7.870 0.233 1.00 50.21 H new ATOM 0 HA TYR A 80 -7.249 -8.355 0.473 1.00 23.15 H new ATOM 0 HB2 TYR A 80 -5.518 -7.042 2.564 1.00 42.52 H new ATOM 0 HB3 TYR A 80 -7.195 -7.533 2.689 1.00 42.52 H new ATOM 0 HD1 TYR A 80 -4.943 -10.095 1.352 1.00 40.22 H new ATOM 0 HD2 TYR A 80 -6.521 -8.397 4.914 1.00 72.22 H new ATOM 0 HE1 TYR A 80 -4.187 -12.044 2.605 1.00 61.35 H new ATOM 0 HE2 TYR A 80 -5.777 -10.359 6.176 1.00 1.25 H new ATOM 0 HH TYR A 80 -4.731 -12.346 6.099 1.00 23.21 H new ATOM 1191 N ALA A 81 -7.356 -5.717 0.100 1.00 3.41 N ATOM 1192 CA ALA A 81 -7.329 -4.334 -0.263 1.00 63.21 C ATOM 1193 C ALA A 81 -8.449 -3.597 0.391 1.00 52.42 C ATOM 1194 O ALA A 81 -9.522 -4.114 0.544 1.00 44.21 O ATOM 1195 CB ALA A 81 -7.403 -4.175 -1.771 1.00 11.23 C ATOM 0 H ALA A 81 -8.287 -6.130 0.149 1.00 3.41 H new ATOM 0 HA ALA A 81 -6.387 -3.910 0.084 1.00 63.21 H new ATOM 0 HB1 ALA A 81 -7.381 -3.116 -2.027 1.00 11.23 H new ATOM 0 HB2 ALA A 81 -6.552 -4.677 -2.232 1.00 11.23 H new ATOM 0 HB3 ALA A 81 -8.329 -4.618 -2.139 1.00 11.23 H new ATOM 1201 N TYR A 82 -8.187 -2.418 0.801 1.00 72.12 N ATOM 1202 CA TYR A 82 -9.184 -1.580 1.359 1.00 61.11 C ATOM 1203 C TYR A 82 -9.438 -0.476 0.376 1.00 14.51 C ATOM 1204 O TYR A 82 -8.526 0.296 0.066 1.00 75.11 O ATOM 1205 CB TYR A 82 -8.710 -0.966 2.653 1.00 1.21 C ATOM 1206 CG TYR A 82 -8.237 -1.929 3.702 1.00 22.11 C ATOM 1207 CD1 TYR A 82 -9.084 -2.893 4.237 1.00 42.44 C ATOM 1208 CD2 TYR A 82 -6.948 -1.850 4.180 1.00 53.30 C ATOM 1209 CE1 TYR A 82 -8.639 -3.753 5.228 1.00 74.35 C ATOM 1210 CE2 TYR A 82 -6.496 -2.689 5.158 1.00 3.24 C ATOM 1211 CZ TYR A 82 -7.332 -3.635 5.685 1.00 61.12 C ATOM 1212 OH TYR A 82 -6.869 -4.463 6.668 1.00 73.24 O ATOM 0 H TYR A 82 -7.259 -1.996 0.760 1.00 72.12 H new ATOM 0 HA TYR A 82 -10.082 -2.164 1.562 1.00 61.11 H new ATOM 0 HB2 TYR A 82 -7.897 -0.276 2.428 1.00 1.21 H new ATOM 0 HB3 TYR A 82 -9.524 -0.374 3.071 1.00 1.21 H new ATOM 0 HD1 TYR A 82 -10.099 -2.972 3.877 1.00 42.44 H new ATOM 0 HD2 TYR A 82 -6.279 -1.107 3.772 1.00 53.30 H new ATOM 0 HE1 TYR A 82 -9.298 -4.504 5.639 1.00 74.35 H new ATOM 0 HE2 TYR A 82 -5.480 -2.606 5.515 1.00 3.24 H new ATOM 0 HH TYR A 82 -7.623 -4.794 7.199 1.00 73.24 H new ATOM 1222 N ILE A 83 -10.621 -0.400 -0.135 1.00 23.45 N ATOM 1223 CA ILE A 83 -10.946 0.609 -1.110 1.00 23.43 C ATOM 1224 C ILE A 83 -11.741 1.683 -0.400 1.00 61.44 C ATOM 1225 O ILE A 83 -12.763 1.390 0.196 1.00 2.33 O ATOM 1226 CB ILE A 83 -11.833 0.011 -2.242 1.00 52.35 C ATOM 1227 CG1 ILE A 83 -11.228 -1.312 -2.744 1.00 74.12 C ATOM 1228 CG2 ILE A 83 -11.942 0.987 -3.402 1.00 74.31 C ATOM 1229 CD1 ILE A 83 -9.853 -1.193 -3.357 1.00 63.12 C ATOM 0 H ILE A 83 -11.390 -1.026 0.103 1.00 23.45 H new ATOM 0 HA ILE A 83 -10.031 1.004 -1.552 1.00 23.43 H new ATOM 0 HB ILE A 83 -12.828 -0.175 -1.837 1.00 52.35 H new ATOM 0 HG12 ILE A 83 -11.178 -2.011 -1.909 1.00 74.12 H new ATOM 0 HG13 ILE A 83 -11.902 -1.745 -3.483 1.00 74.12 H new ATOM 0 HG21 ILE A 83 -12.565 0.554 -4.185 1.00 74.31 H new ATOM 0 HG22 ILE A 83 -12.391 1.917 -3.054 1.00 74.31 H new ATOM 0 HG23 ILE A 83 -10.948 1.191 -3.801 1.00 74.31 H new ATOM 0 HD11 ILE A 83 -9.512 -2.177 -3.680 1.00 63.12 H new ATOM 0 HD12 ILE A 83 -9.894 -0.523 -4.216 1.00 63.12 H new ATOM 0 HD13 ILE A 83 -9.159 -0.793 -2.618 1.00 63.12 H new ATOM 1241 N GLU A 84 -11.267 2.891 -0.412 1.00 35.33 N ATOM 1242 CA GLU A 84 -11.971 3.967 0.236 1.00 73.33 C ATOM 1243 C GLU A 84 -12.565 4.871 -0.836 1.00 64.02 C ATOM 1244 O GLU A 84 -11.841 5.422 -1.670 1.00 14.22 O ATOM 1245 CB GLU A 84 -11.022 4.735 1.193 1.00 0.54 C ATOM 1246 CG GLU A 84 -10.271 3.789 2.145 1.00 42.10 C ATOM 1247 CD GLU A 84 -9.492 4.460 3.256 1.00 50.31 C ATOM 1248 OE1 GLU A 84 -8.413 5.019 2.997 1.00 41.14 O ATOM 1249 OE2 GLU A 84 -9.941 4.386 4.432 1.00 3.21 O ATOM 0 H GLU A 84 -10.393 3.162 -0.863 1.00 35.33 H new ATOM 0 HA GLU A 84 -12.783 3.577 0.850 1.00 73.33 H new ATOM 0 HB2 GLU A 84 -10.302 5.306 0.607 1.00 0.54 H new ATOM 0 HB3 GLU A 84 -11.599 5.453 1.776 1.00 0.54 H new ATOM 0 HG2 GLU A 84 -10.993 3.106 2.593 1.00 42.10 H new ATOM 0 HG3 GLU A 84 -9.581 3.183 1.557 1.00 42.10 H new ATOM 1256 N PHE A 85 -13.871 5.000 -0.836 1.00 11.43 N ATOM 1257 CA PHE A 85 -14.555 5.759 -1.868 1.00 54.20 C ATOM 1258 C PHE A 85 -14.788 7.191 -1.480 1.00 60.12 C ATOM 1259 O PHE A 85 -14.618 7.581 -0.324 1.00 53.54 O ATOM 1260 CB PHE A 85 -15.887 5.125 -2.246 1.00 41.35 C ATOM 1261 CG PHE A 85 -15.778 3.793 -2.914 1.00 64.10 C ATOM 1262 CD1 PHE A 85 -15.548 3.712 -4.276 1.00 22.41 C ATOM 1263 CD2 PHE A 85 -15.927 2.629 -2.194 1.00 30.25 C ATOM 1264 CE1 PHE A 85 -15.470 2.492 -4.902 1.00 33.23 C ATOM 1265 CE2 PHE A 85 -15.846 1.410 -2.817 1.00 1.21 C ATOM 1266 CZ PHE A 85 -15.618 1.341 -4.169 1.00 75.41 C ATOM 0 H PHE A 85 -14.486 4.590 -0.133 1.00 11.43 H new ATOM 0 HA PHE A 85 -13.887 5.742 -2.729 1.00 54.20 H new ATOM 0 HB2 PHE A 85 -16.491 5.016 -1.345 1.00 41.35 H new ATOM 0 HB3 PHE A 85 -16.423 5.805 -2.908 1.00 41.35 H new ATOM 0 HD1 PHE A 85 -15.429 4.617 -4.853 1.00 22.41 H new ATOM 0 HD2 PHE A 85 -16.109 2.676 -1.131 1.00 30.25 H new ATOM 0 HE1 PHE A 85 -15.293 2.439 -5.966 1.00 33.23 H new ATOM 0 HE2 PHE A 85 -15.962 0.503 -2.243 1.00 1.21 H new ATOM 0 HZ PHE A 85 -15.555 0.379 -4.657 1.00 75.41 H new ATOM 1276 N ALA A 86 -15.123 7.984 -2.464 1.00 65.40 N ATOM 1277 CA ALA A 86 -15.485 9.357 -2.258 1.00 24.32 C ATOM 1278 C ALA A 86 -16.871 9.469 -1.640 1.00 30.41 C ATOM 1279 O ALA A 86 -17.102 10.322 -0.790 1.00 61.10 O ATOM 1280 CB ALA A 86 -15.439 10.103 -3.577 1.00 74.30 C ATOM 0 H ALA A 86 -15.152 7.689 -3.440 1.00 65.40 H new ATOM 0 HA ALA A 86 -14.770 9.802 -1.566 1.00 24.32 H new ATOM 0 HB1 ALA A 86 -15.715 11.145 -3.415 1.00 74.30 H new ATOM 0 HB2 ALA A 86 -14.431 10.054 -3.988 1.00 74.30 H new ATOM 0 HB3 ALA A 86 -16.139 9.647 -4.277 1.00 74.30 H new ATOM 1286 N GLU A 87 -17.786 8.600 -2.060 1.00 63.14 N ATOM 1287 CA GLU A 87 -19.169 8.669 -1.585 1.00 21.42 C ATOM 1288 C GLU A 87 -19.635 7.419 -0.828 1.00 64.11 C ATOM 1289 O GLU A 87 -19.086 6.324 -0.986 1.00 71.52 O ATOM 1290 CB GLU A 87 -20.098 8.890 -2.761 1.00 54.50 C ATOM 1291 CG GLU A 87 -19.821 10.136 -3.559 1.00 2.30 C ATOM 1292 CD GLU A 87 -20.766 10.271 -4.706 1.00 22.33 C ATOM 1293 OE1 GLU A 87 -21.870 10.798 -4.515 1.00 3.21 O ATOM 1294 OE2 GLU A 87 -20.426 9.832 -5.825 1.00 32.22 O ATOM 0 H GLU A 87 -17.600 7.846 -2.722 1.00 63.14 H new ATOM 0 HA GLU A 87 -19.201 9.500 -0.880 1.00 21.42 H new ATOM 0 HB2 GLU A 87 -20.032 8.028 -3.425 1.00 54.50 H new ATOM 0 HB3 GLU A 87 -21.123 8.931 -2.393 1.00 54.50 H new ATOM 0 HG2 GLU A 87 -19.904 11.010 -2.913 1.00 2.30 H new ATOM 0 HG3 GLU A 87 -18.797 10.111 -3.931 1.00 2.30 H new ATOM 1301 N ARG A 88 -20.680 7.613 -0.021 1.00 14.11 N ATOM 1302 CA ARG A 88 -21.362 6.551 0.722 1.00 41.13 C ATOM 1303 C ARG A 88 -22.175 5.673 -0.216 1.00 23.32 C ATOM 1304 O ARG A 88 -22.445 4.501 0.080 1.00 23.11 O ATOM 1305 CB ARG A 88 -22.276 7.166 1.786 1.00 54.45 C ATOM 1306 CG ARG A 88 -21.566 7.653 3.037 1.00 2.54 C ATOM 1307 CD ARG A 88 -21.221 6.478 3.943 1.00 4.35 C ATOM 1308 NE ARG A 88 -22.447 5.810 4.421 1.00 34.22 N ATOM 1309 CZ ARG A 88 -22.540 4.544 4.866 1.00 22.31 C ATOM 1310 NH1 ARG A 88 -21.480 3.776 4.946 1.00 0.43 N ATOM 1311 NH2 ARG A 88 -23.705 4.069 5.263 1.00 11.30 N ATOM 0 H ARG A 88 -21.085 8.535 0.138 1.00 14.11 H new ATOM 0 HA ARG A 88 -20.609 5.930 1.208 1.00 41.13 H new ATOM 0 HB2 ARG A 88 -22.813 8.004 1.342 1.00 54.45 H new ATOM 0 HB3 ARG A 88 -23.022 6.426 2.075 1.00 54.45 H new ATOM 0 HG2 ARG A 88 -20.657 8.188 2.762 1.00 2.54 H new ATOM 0 HG3 ARG A 88 -22.201 8.359 3.572 1.00 2.54 H new ATOM 0 HD2 ARG A 88 -20.600 5.765 3.401 1.00 4.35 H new ATOM 0 HD3 ARG A 88 -20.636 6.828 4.794 1.00 4.35 H new ATOM 0 HE ARG A 88 -23.306 6.361 4.413 1.00 34.22 H new ATOM 0 HH11 ARG A 88 -20.567 4.136 4.669 1.00 0.43 H new ATOM 0 HH12 ARG A 88 -21.569 2.818 5.286 1.00 0.43 H new ATOM 0 HH21 ARG A 88 -24.535 4.662 5.232 1.00 11.30 H new ATOM 0 HH22 ARG A 88 -23.776 3.109 5.601 1.00 11.30 H new ATOM 1325 N ASN A 89 -22.585 6.244 -1.321 1.00 30.15 N ATOM 1326 CA ASN A 89 -23.296 5.507 -2.361 1.00 62.23 C ATOM 1327 C ASN A 89 -22.434 4.388 -2.881 1.00 64.31 C ATOM 1328 O ASN A 89 -22.903 3.266 -3.088 1.00 3.41 O ATOM 1329 CB ASN A 89 -23.606 6.404 -3.547 1.00 73.23 C ATOM 1330 CG ASN A 89 -24.492 7.586 -3.233 1.00 63.41 C ATOM 1331 OD1 ASN A 89 -25.345 7.529 -2.347 1.00 30.31 O ATOM 1332 ND2 ASN A 89 -24.290 8.668 -3.947 1.00 61.22 N ATOM 0 H ASN A 89 -22.440 7.231 -1.534 1.00 30.15 H new ATOM 0 HA ASN A 89 -24.216 5.128 -1.916 1.00 62.23 H new ATOM 0 HB2 ASN A 89 -22.667 6.772 -3.962 1.00 73.23 H new ATOM 0 HB3 ASN A 89 -24.084 5.805 -4.322 1.00 73.23 H new ATOM 0 HD21 ASN A 89 -24.850 9.503 -3.777 1.00 61.22 H new ATOM 0 HD22 ASN A 89 -23.573 8.674 -4.672 1.00 61.22 H new ATOM 1339 N SER A 90 -21.159 4.689 -3.071 1.00 34.45 N ATOM 1340 CA SER A 90 -20.230 3.784 -3.679 1.00 20.53 C ATOM 1341 C SER A 90 -19.926 2.601 -2.779 1.00 20.14 C ATOM 1342 O SER A 90 -19.846 1.472 -3.251 1.00 14.43 O ATOM 1343 CB SER A 90 -18.952 4.540 -3.990 1.00 40.10 C ATOM 1344 OG SER A 90 -19.223 5.734 -4.713 1.00 33.50 O ATOM 0 H SER A 90 -20.747 5.582 -2.800 1.00 34.45 H new ATOM 0 HA SER A 90 -20.674 3.390 -4.593 1.00 20.53 H new ATOM 0 HB2 SER A 90 -18.435 4.783 -3.062 1.00 40.10 H new ATOM 0 HB3 SER A 90 -18.283 3.905 -4.570 1.00 40.10 H new ATOM 0 HG SER A 90 -18.382 6.202 -4.899 1.00 33.50 H new ATOM 1350 N VAL A 91 -19.793 2.850 -1.475 1.00 42.14 N ATOM 1351 CA VAL A 91 -19.478 1.774 -0.551 1.00 51.44 C ATOM 1352 C VAL A 91 -20.621 0.777 -0.514 1.00 42.14 C ATOM 1353 O VAL A 91 -20.401 -0.437 -0.509 1.00 42.14 O ATOM 1354 CB VAL A 91 -19.146 2.271 0.915 1.00 53.30 C ATOM 1355 CG1 VAL A 91 -20.283 3.031 1.552 1.00 75.34 C ATOM 1356 CG2 VAL A 91 -18.707 1.133 1.818 1.00 12.51 C ATOM 0 H VAL A 91 -19.897 3.770 -1.047 1.00 42.14 H new ATOM 0 HA VAL A 91 -18.571 1.300 -0.926 1.00 51.44 H new ATOM 0 HB VAL A 91 -18.312 2.964 0.802 1.00 53.30 H new ATOM 0 HG11 VAL A 91 -19.994 3.345 2.555 1.00 75.34 H new ATOM 0 HG12 VAL A 91 -20.516 3.909 0.950 1.00 75.34 H new ATOM 0 HG13 VAL A 91 -21.162 2.389 1.612 1.00 75.34 H new ATOM 0 HG21 VAL A 91 -18.490 1.521 2.813 1.00 12.51 H new ATOM 0 HG22 VAL A 91 -19.504 0.392 1.883 1.00 12.51 H new ATOM 0 HG23 VAL A 91 -17.811 0.667 1.407 1.00 12.51 H new ATOM 1366 N ASP A 92 -21.843 1.295 -0.555 1.00 72.15 N ATOM 1367 CA ASP A 92 -23.027 0.472 -0.439 1.00 30.03 C ATOM 1368 C ASP A 92 -23.188 -0.385 -1.688 1.00 44.10 C ATOM 1369 O ASP A 92 -23.632 -1.533 -1.633 1.00 43.21 O ATOM 1370 CB ASP A 92 -24.238 1.359 -0.261 1.00 73.02 C ATOM 1371 CG ASP A 92 -25.381 0.643 0.427 1.00 10.31 C ATOM 1372 OD1 ASP A 92 -26.129 -0.077 -0.221 1.00 22.12 O ATOM 1373 OD2 ASP A 92 -25.542 0.822 1.667 1.00 61.10 O ATOM 0 H ASP A 92 -22.034 2.291 -0.669 1.00 72.15 H new ATOM 0 HA ASP A 92 -22.929 -0.184 0.426 1.00 30.03 H new ATOM 0 HB2 ASP A 92 -23.959 2.237 0.322 1.00 73.02 H new ATOM 0 HB3 ASP A 92 -24.570 1.716 -1.236 1.00 73.02 H new ATOM 1378 N ALA A 93 -22.799 0.184 -2.817 1.00 40.34 N ATOM 1379 CA ALA A 93 -22.872 -0.498 -4.093 1.00 35.53 C ATOM 1380 C ALA A 93 -21.784 -1.563 -4.195 1.00 4.30 C ATOM 1381 O ALA A 93 -21.975 -2.609 -4.815 1.00 63.33 O ATOM 1382 CB ALA A 93 -22.747 0.501 -5.233 1.00 21.40 C ATOM 0 H ALA A 93 -22.424 1.131 -2.872 1.00 40.34 H new ATOM 0 HA ALA A 93 -23.842 -0.991 -4.167 1.00 35.53 H new ATOM 0 HB1 ALA A 93 -22.804 -0.025 -6.186 1.00 21.40 H new ATOM 0 HB2 ALA A 93 -23.558 1.227 -5.171 1.00 21.40 H new ATOM 0 HB3 ALA A 93 -21.790 1.018 -5.160 1.00 21.40 H new ATOM 1388 N ALA A 94 -20.656 -1.304 -3.558 1.00 1.44 N ATOM 1389 CA ALA A 94 -19.541 -2.220 -3.614 1.00 51.23 C ATOM 1390 C ALA A 94 -19.789 -3.419 -2.713 1.00 21.34 C ATOM 1391 O ALA A 94 -19.584 -4.552 -3.119 1.00 3.15 O ATOM 1392 CB ALA A 94 -18.233 -1.520 -3.263 1.00 11.15 C ATOM 0 H ALA A 94 -20.492 -0.467 -2.998 1.00 1.44 H new ATOM 0 HA ALA A 94 -19.449 -2.582 -4.638 1.00 51.23 H new ATOM 0 HB1 ALA A 94 -17.412 -2.236 -3.314 1.00 11.15 H new ATOM 0 HB2 ALA A 94 -18.053 -0.710 -3.970 1.00 11.15 H new ATOM 0 HB3 ALA A 94 -18.297 -1.113 -2.254 1.00 11.15 H new ATOM 1398 N VAL A 95 -20.267 -3.159 -1.493 1.00 53.42 N ATOM 1399 CA VAL A 95 -20.577 -4.232 -0.534 1.00 73.02 C ATOM 1400 C VAL A 95 -21.632 -5.224 -1.052 1.00 63.34 C ATOM 1401 O VAL A 95 -21.717 -6.350 -0.578 1.00 12.32 O ATOM 1402 CB VAL A 95 -20.935 -3.736 0.896 1.00 14.20 C ATOM 1403 CG1 VAL A 95 -19.805 -2.900 1.466 1.00 14.03 C ATOM 1404 CG2 VAL A 95 -22.239 -2.954 0.907 1.00 45.23 C ATOM 0 H VAL A 95 -20.449 -2.218 -1.143 1.00 53.42 H new ATOM 0 HA VAL A 95 -19.634 -4.770 -0.442 1.00 73.02 H new ATOM 0 HB VAL A 95 -21.073 -4.614 1.527 1.00 14.20 H new ATOM 0 HG11 VAL A 95 -20.072 -2.561 2.467 1.00 14.03 H new ATOM 0 HG12 VAL A 95 -18.897 -3.501 1.517 1.00 14.03 H new ATOM 0 HG13 VAL A 95 -19.632 -2.036 0.824 1.00 14.03 H new ATOM 0 HG21 VAL A 95 -22.457 -2.624 1.923 1.00 45.23 H new ATOM 0 HG22 VAL A 95 -22.148 -2.086 0.255 1.00 45.23 H new ATOM 0 HG23 VAL A 95 -23.049 -3.591 0.552 1.00 45.23 H new ATOM 1414 N ALA A 96 -22.434 -4.795 -2.021 1.00 64.43 N ATOM 1415 CA ALA A 96 -23.448 -5.662 -2.639 1.00 44.44 C ATOM 1416 C ALA A 96 -22.781 -6.806 -3.413 1.00 74.13 C ATOM 1417 O ALA A 96 -23.404 -7.817 -3.725 1.00 74.54 O ATOM 1418 CB ALA A 96 -24.327 -4.856 -3.566 1.00 33.34 C ATOM 0 H ALA A 96 -22.406 -3.849 -2.401 1.00 64.43 H new ATOM 0 HA ALA A 96 -24.063 -6.090 -1.848 1.00 44.44 H new ATOM 0 HB1 ALA A 96 -25.074 -5.509 -4.018 1.00 33.34 H new ATOM 0 HB2 ALA A 96 -24.827 -4.069 -3.001 1.00 33.34 H new ATOM 0 HB3 ALA A 96 -23.715 -4.408 -4.349 1.00 33.34 H new ATOM 1424 N MET A 97 -21.516 -6.633 -3.697 1.00 34.50 N ATOM 1425 CA MET A 97 -20.736 -7.634 -4.411 1.00 43.43 C ATOM 1426 C MET A 97 -19.993 -8.526 -3.420 1.00 51.52 C ATOM 1427 O MET A 97 -19.148 -9.299 -3.814 1.00 12.44 O ATOM 1428 CB MET A 97 -19.714 -6.973 -5.367 1.00 70.30 C ATOM 1429 CG MET A 97 -20.319 -6.123 -6.480 1.00 21.23 C ATOM 1430 SD MET A 97 -19.069 -5.466 -7.632 1.00 35.40 S ATOM 1431 CE MET A 97 -18.092 -4.419 -6.552 1.00 13.30 C ATOM 0 H MET A 97 -20.989 -5.797 -3.444 1.00 34.50 H new ATOM 0 HA MET A 97 -21.428 -8.234 -5.002 1.00 43.43 H new ATOM 0 HB2 MET A 97 -19.043 -6.348 -4.779 1.00 70.30 H new ATOM 0 HB3 MET A 97 -19.106 -7.756 -5.820 1.00 70.30 H new ATOM 0 HG2 MET A 97 -21.039 -6.722 -7.037 1.00 21.23 H new ATOM 0 HG3 MET A 97 -20.870 -5.293 -6.037 1.00 21.23 H new ATOM 0 HE1 MET A 97 -17.679 -3.589 -7.126 1.00 13.30 H new ATOM 0 HE2 MET A 97 -18.724 -4.029 -5.754 1.00 13.30 H new ATOM 0 HE3 MET A 97 -17.279 -5.001 -6.119 1.00 13.30 H new ATOM 1441 N ASP A 98 -20.327 -8.394 -2.124 1.00 63.23 N ATOM 1442 CA ASP A 98 -19.637 -9.099 -1.009 1.00 30.10 C ATOM 1443 C ASP A 98 -19.191 -10.523 -1.284 1.00 74.24 C ATOM 1444 O ASP A 98 -18.062 -10.858 -0.968 1.00 45.25 O ATOM 1445 CB ASP A 98 -20.418 -9.037 0.321 1.00 33.04 C ATOM 1446 CG ASP A 98 -21.573 -9.996 0.432 1.00 40.04 C ATOM 1447 OD1 ASP A 98 -22.655 -9.724 -0.127 1.00 62.32 O ATOM 1448 OD2 ASP A 98 -21.411 -11.039 1.093 1.00 23.44 O ATOM 0 H ASP A 98 -21.088 -7.792 -1.810 1.00 63.23 H new ATOM 0 HA ASP A 98 -18.718 -8.521 -0.916 1.00 30.10 H new ATOM 0 HB2 ASP A 98 -19.725 -9.231 1.140 1.00 33.04 H new ATOM 0 HB3 ASP A 98 -20.794 -8.023 0.456 1.00 33.04 H new ATOM 1453 N GLU A 99 -20.039 -11.359 -1.838 1.00 2.05 N ATOM 1454 CA GLU A 99 -19.670 -12.737 -2.059 1.00 31.12 C ATOM 1455 C GLU A 99 -19.628 -13.053 -3.569 1.00 45.12 C ATOM 1456 O GLU A 99 -19.874 -14.186 -3.999 1.00 50.31 O ATOM 1457 CB GLU A 99 -20.698 -13.599 -1.316 1.00 72.24 C ATOM 1458 CG GLU A 99 -20.362 -15.073 -1.196 1.00 54.34 C ATOM 1459 CD GLU A 99 -21.375 -15.798 -0.372 1.00 53.54 C ATOM 1460 OE1 GLU A 99 -21.318 -15.703 0.880 1.00 30.23 O ATOM 1461 OE2 GLU A 99 -22.252 -16.475 -0.948 1.00 30.00 O ATOM 0 H GLU A 99 -20.981 -11.111 -2.141 1.00 2.05 H new ATOM 0 HA GLU A 99 -18.670 -12.946 -1.680 1.00 31.12 H new ATOM 0 HB2 GLU A 99 -20.827 -13.193 -0.313 1.00 72.24 H new ATOM 0 HB3 GLU A 99 -21.658 -13.505 -1.824 1.00 72.24 H new ATOM 0 HG2 GLU A 99 -20.313 -15.518 -2.190 1.00 54.34 H new ATOM 0 HG3 GLU A 99 -19.376 -15.187 -0.746 1.00 54.34 H new ATOM 1468 N THR A 100 -19.298 -12.057 -4.367 1.00 55.22 N ATOM 1469 CA THR A 100 -19.183 -12.253 -5.795 1.00 72.23 C ATOM 1470 C THR A 100 -17.952 -13.134 -6.112 1.00 35.01 C ATOM 1471 O THR A 100 -17.054 -13.326 -5.265 1.00 41.33 O ATOM 1472 CB THR A 100 -19.091 -10.895 -6.584 1.00 14.41 C ATOM 1473 OG1 THR A 100 -19.238 -11.128 -8.000 1.00 44.25 O ATOM 1474 CG2 THR A 100 -17.739 -10.211 -6.352 1.00 4.22 C ATOM 0 H THR A 100 -19.106 -11.107 -4.050 1.00 55.22 H new ATOM 0 HA THR A 100 -20.092 -12.756 -6.125 1.00 72.23 H new ATOM 0 HB THR A 100 -19.892 -10.253 -6.219 1.00 14.41 H new ATOM 0 HG1 THR A 100 -19.181 -10.275 -8.480 1.00 44.25 H new ATOM 0 HG21 THR A 100 -17.704 -9.275 -6.910 1.00 4.22 H new ATOM 0 HG22 THR A 100 -17.613 -10.005 -5.289 1.00 4.22 H new ATOM 0 HG23 THR A 100 -16.937 -10.866 -6.692 1.00 4.22 H new ATOM 1482 N VAL A 101 -17.896 -13.638 -7.305 1.00 3.32 N ATOM 1483 CA VAL A 101 -16.809 -14.459 -7.707 1.00 43.50 C ATOM 1484 C VAL A 101 -15.971 -13.673 -8.705 1.00 2.53 C ATOM 1485 O VAL A 101 -16.505 -13.042 -9.624 1.00 74.34 O ATOM 1486 CB VAL A 101 -17.290 -15.826 -8.280 1.00 2.24 C ATOM 1487 CG1 VAL A 101 -18.195 -15.641 -9.475 1.00 1.33 C ATOM 1488 CG2 VAL A 101 -16.117 -16.737 -8.611 1.00 64.11 C ATOM 0 H VAL A 101 -18.604 -13.489 -8.024 1.00 3.32 H new ATOM 0 HA VAL A 101 -16.197 -14.713 -6.841 1.00 43.50 H new ATOM 0 HB VAL A 101 -17.874 -16.314 -7.500 1.00 2.24 H new ATOM 0 HG11 VAL A 101 -18.510 -16.616 -9.847 1.00 1.33 H new ATOM 0 HG12 VAL A 101 -19.072 -15.064 -9.181 1.00 1.33 H new ATOM 0 HG13 VAL A 101 -17.657 -15.110 -10.260 1.00 1.33 H new ATOM 0 HG21 VAL A 101 -16.490 -17.681 -9.008 1.00 64.11 H new ATOM 0 HG22 VAL A 101 -15.482 -16.256 -9.355 1.00 64.11 H new ATOM 0 HG23 VAL A 101 -15.538 -16.927 -7.707 1.00 64.11 H new ATOM 1498 N PHE A 102 -14.694 -13.669 -8.499 1.00 32.11 N ATOM 1499 CA PHE A 102 -13.804 -12.887 -9.294 1.00 11.14 C ATOM 1500 C PHE A 102 -12.553 -13.688 -9.626 1.00 31.22 C ATOM 1501 O PHE A 102 -11.895 -14.212 -8.736 1.00 13.45 O ATOM 1502 CB PHE A 102 -13.448 -11.618 -8.508 1.00 60.33 C ATOM 1503 CG PHE A 102 -12.551 -10.661 -9.220 1.00 61.52 C ATOM 1504 CD1 PHE A 102 -13.070 -9.758 -10.126 1.00 34.24 C ATOM 1505 CD2 PHE A 102 -11.191 -10.658 -8.976 1.00 54.43 C ATOM 1506 CE1 PHE A 102 -12.249 -8.867 -10.777 1.00 75.40 C ATOM 1507 CE2 PHE A 102 -10.366 -9.775 -9.622 1.00 21.41 C ATOM 1508 CZ PHE A 102 -10.894 -8.877 -10.524 1.00 41.41 C ATOM 0 H PHE A 102 -14.235 -14.213 -7.768 1.00 32.11 H new ATOM 0 HA PHE A 102 -14.280 -12.613 -10.236 1.00 11.14 H new ATOM 0 HB2 PHE A 102 -14.371 -11.100 -8.247 1.00 60.33 H new ATOM 0 HB3 PHE A 102 -12.971 -11.911 -7.573 1.00 60.33 H new ATOM 0 HD1 PHE A 102 -14.131 -9.751 -10.326 1.00 34.24 H new ATOM 0 HD2 PHE A 102 -10.774 -11.359 -8.268 1.00 54.43 H new ATOM 0 HE1 PHE A 102 -12.664 -8.163 -11.483 1.00 75.40 H new ATOM 0 HE2 PHE A 102 -9.304 -9.783 -9.425 1.00 21.41 H new ATOM 0 HZ PHE A 102 -10.245 -8.180 -11.034 1.00 41.41 H new ATOM 1518 N ARG A 103 -12.238 -13.778 -10.915 1.00 22.21 N ATOM 1519 CA ARG A 103 -11.055 -14.483 -11.447 1.00 44.01 C ATOM 1520 C ARG A 103 -11.021 -15.955 -10.976 1.00 14.45 C ATOM 1521 O ARG A 103 -9.963 -16.582 -10.816 1.00 62.40 O ATOM 1522 CB ARG A 103 -9.807 -13.694 -11.028 1.00 53.01 C ATOM 1523 CG ARG A 103 -8.516 -14.096 -11.702 1.00 30.45 C ATOM 1524 CD ARG A 103 -7.437 -13.121 -11.330 1.00 43.12 C ATOM 1525 NE ARG A 103 -6.182 -13.382 -12.015 1.00 20.10 N ATOM 1526 CZ ARG A 103 -5.561 -12.492 -12.794 1.00 32.21 C ATOM 1527 NH1 ARG A 103 -6.147 -11.330 -13.080 1.00 64.12 N ATOM 1528 NH2 ARG A 103 -4.369 -12.764 -13.299 1.00 32.11 N ATOM 0 H ARG A 103 -12.809 -13.354 -11.646 1.00 22.21 H new ATOM 0 HA ARG A 103 -11.094 -14.529 -12.535 1.00 44.01 H new ATOM 0 HB2 ARG A 103 -9.985 -12.637 -11.227 1.00 53.01 H new ATOM 0 HB3 ARG A 103 -9.680 -13.798 -9.950 1.00 53.01 H new ATOM 0 HG2 ARG A 103 -8.232 -15.103 -11.398 1.00 30.45 H new ATOM 0 HG3 ARG A 103 -8.648 -14.115 -12.784 1.00 30.45 H new ATOM 0 HD2 ARG A 103 -7.770 -12.110 -11.565 1.00 43.12 H new ATOM 0 HD3 ARG A 103 -7.273 -13.161 -10.253 1.00 43.12 H new ATOM 0 HE ARG A 103 -5.750 -14.298 -11.894 1.00 20.10 H new ATOM 0 HH11 ARG A 103 -7.071 -11.119 -12.704 1.00 64.12 H new ATOM 0 HH12 ARG A 103 -5.671 -10.652 -13.675 1.00 64.12 H new ATOM 0 HH21 ARG A 103 -3.920 -13.657 -13.094 1.00 32.11 H new ATOM 0 HH22 ARG A 103 -3.899 -12.081 -13.893 1.00 32.11 H new ATOM 1542 N GLY A 104 -12.205 -16.498 -10.820 1.00 14.05 N ATOM 1543 CA GLY A 104 -12.368 -17.887 -10.462 1.00 2.44 C ATOM 1544 C GLY A 104 -12.398 -18.118 -8.965 1.00 61.02 C ATOM 1545 O GLY A 104 -12.733 -19.213 -8.507 1.00 31.04 O ATOM 0 H GLY A 104 -13.082 -15.990 -10.938 1.00 14.05 H new ATOM 0 HA2 GLY A 104 -13.293 -18.262 -10.900 1.00 2.44 H new ATOM 0 HA3 GLY A 104 -11.553 -18.466 -10.896 1.00 2.44 H new ATOM 1549 N ARG A 105 -12.065 -17.105 -8.206 1.00 13.21 N ATOM 1550 CA ARG A 105 -12.071 -17.217 -6.766 1.00 63.41 C ATOM 1551 C ARG A 105 -13.150 -16.336 -6.189 1.00 20.22 C ATOM 1552 O ARG A 105 -13.506 -15.323 -6.763 1.00 70.53 O ATOM 1553 CB ARG A 105 -10.705 -16.861 -6.145 1.00 74.21 C ATOM 1554 CG ARG A 105 -10.201 -15.464 -6.474 1.00 5.04 C ATOM 1555 CD ARG A 105 -8.929 -15.129 -5.720 1.00 55.25 C ATOM 1556 NE ARG A 105 -7.828 -16.056 -5.990 1.00 43.43 N ATOM 1557 CZ ARG A 105 -6.630 -16.014 -5.369 1.00 74.11 C ATOM 1558 NH1 ARG A 105 -6.380 -15.078 -4.435 1.00 63.30 N ATOM 1559 NH2 ARG A 105 -5.693 -16.904 -5.678 1.00 33.04 N ATOM 0 H ARG A 105 -11.785 -16.190 -8.560 1.00 13.21 H new ATOM 0 HA ARG A 105 -12.274 -18.259 -6.519 1.00 63.41 H new ATOM 0 HB2 ARG A 105 -10.777 -16.961 -5.062 1.00 74.21 H new ATOM 0 HB3 ARG A 105 -9.967 -17.588 -6.484 1.00 74.21 H new ATOM 0 HG2 ARG A 105 -10.018 -15.387 -7.546 1.00 5.04 H new ATOM 0 HG3 ARG A 105 -10.972 -14.733 -6.229 1.00 5.04 H new ATOM 0 HD2 ARG A 105 -8.616 -14.119 -5.983 1.00 55.25 H new ATOM 0 HD3 ARG A 105 -9.139 -15.129 -4.650 1.00 55.25 H new ATOM 0 HE ARG A 105 -7.976 -16.780 -6.693 1.00 43.43 H new ATOM 0 HH11 ARG A 105 -7.098 -14.395 -4.193 1.00 63.30 H new ATOM 0 HH12 ARG A 105 -5.473 -15.052 -3.969 1.00 63.30 H new ATOM 0 HH21 ARG A 105 -5.880 -17.617 -6.383 1.00 33.04 H new ATOM 0 HH22 ARG A 105 -4.787 -16.874 -5.210 1.00 33.04 H new ATOM 1573 N THR A 106 -13.672 -16.716 -5.087 1.00 72.45 N ATOM 1574 CA THR A 106 -14.683 -15.939 -4.453 1.00 71.20 C ATOM 1575 C THR A 106 -14.003 -14.897 -3.574 1.00 72.13 C ATOM 1576 O THR A 106 -13.178 -15.242 -2.722 1.00 1.20 O ATOM 1577 CB THR A 106 -15.585 -16.850 -3.595 1.00 44.44 C ATOM 1578 OG1 THR A 106 -16.042 -17.952 -4.411 1.00 35.52 O ATOM 1579 CG2 THR A 106 -16.795 -16.082 -3.073 1.00 53.01 C ATOM 0 H THR A 106 -13.417 -17.571 -4.593 1.00 72.45 H new ATOM 0 HA THR A 106 -15.305 -15.447 -5.201 1.00 71.20 H new ATOM 0 HB THR A 106 -15.011 -17.213 -2.743 1.00 44.44 H new ATOM 0 HG1 THR A 106 -16.615 -18.540 -3.876 1.00 35.52 H new ATOM 0 HG21 THR A 106 -17.415 -16.746 -2.471 1.00 53.01 H new ATOM 0 HG22 THR A 106 -16.458 -15.245 -2.461 1.00 53.01 H new ATOM 0 HG23 THR A 106 -17.377 -15.705 -3.914 1.00 53.01 H new ATOM 1587 N ILE A 107 -14.290 -13.645 -3.794 1.00 40.03 N ATOM 1588 CA ILE A 107 -13.702 -12.615 -2.962 1.00 34.41 C ATOM 1589 C ILE A 107 -14.712 -12.150 -1.947 1.00 5.15 C ATOM 1590 O ILE A 107 -15.872 -12.564 -1.988 1.00 72.31 O ATOM 1591 CB ILE A 107 -13.174 -11.390 -3.778 1.00 55.33 C ATOM 1592 CG1 ILE A 107 -14.318 -10.686 -4.542 1.00 31.23 C ATOM 1593 CG2 ILE A 107 -12.067 -11.833 -4.737 1.00 42.10 C ATOM 1594 CD1 ILE A 107 -13.899 -9.405 -5.262 1.00 25.53 C ATOM 0 H ILE A 107 -14.915 -13.309 -4.527 1.00 40.03 H new ATOM 0 HA ILE A 107 -12.838 -13.061 -2.469 1.00 34.41 H new ATOM 0 HB ILE A 107 -12.759 -10.667 -3.076 1.00 55.33 H new ATOM 0 HG12 ILE A 107 -14.732 -11.381 -5.273 1.00 31.23 H new ATOM 0 HG13 ILE A 107 -15.117 -10.449 -3.839 1.00 31.23 H new ATOM 0 HG21 ILE A 107 -11.707 -10.972 -5.300 1.00 42.10 H new ATOM 0 HG22 ILE A 107 -11.244 -12.264 -4.168 1.00 42.10 H new ATOM 0 HG23 ILE A 107 -12.461 -12.579 -5.427 1.00 42.10 H new ATOM 0 HD11 ILE A 107 -14.761 -8.976 -5.772 1.00 25.53 H new ATOM 0 HD12 ILE A 107 -13.513 -8.689 -4.536 1.00 25.53 H new ATOM 0 HD13 ILE A 107 -13.123 -9.635 -5.992 1.00 25.53 H new ATOM 1606 N LYS A 108 -14.282 -11.347 -1.019 1.00 52.50 N ATOM 1607 CA LYS A 108 -15.159 -10.889 0.019 1.00 55.44 C ATOM 1608 C LYS A 108 -15.021 -9.402 0.178 1.00 41.32 C ATOM 1609 O LYS A 108 -13.905 -8.902 0.374 1.00 75.34 O ATOM 1610 CB LYS A 108 -14.847 -11.602 1.348 1.00 71.33 C ATOM 1611 CG LYS A 108 -15.743 -11.179 2.512 1.00 34.12 C ATOM 1612 CD LYS A 108 -17.197 -11.488 2.213 1.00 44.41 C ATOM 1613 CE LYS A 108 -18.123 -11.049 3.332 1.00 42.23 C ATOM 1614 NZ LYS A 108 -19.537 -11.448 3.077 1.00 72.15 N ATOM 0 H LYS A 108 -13.327 -10.995 -0.959 1.00 52.50 H new ATOM 0 HA LYS A 108 -16.186 -11.125 -0.259 1.00 55.44 H new ATOM 0 HB2 LYS A 108 -14.944 -12.678 1.202 1.00 71.33 H new ATOM 0 HB3 LYS A 108 -13.808 -11.409 1.615 1.00 71.33 H new ATOM 0 HG2 LYS A 108 -15.436 -11.698 3.420 1.00 34.12 H new ATOM 0 HG3 LYS A 108 -15.624 -10.112 2.699 1.00 34.12 H new ATOM 0 HD2 LYS A 108 -17.488 -10.991 1.288 1.00 44.41 H new ATOM 0 HD3 LYS A 108 -17.312 -12.559 2.049 1.00 44.41 H new ATOM 0 HE2 LYS A 108 -17.787 -11.486 4.273 1.00 42.23 H new ATOM 0 HE3 LYS A 108 -18.067 -9.966 3.445 1.00 42.23 H new ATOM 0 HZ1 LYS A 108 -20.157 -11.001 3.783 1.00 72.15 H new ATOM 0 HZ2 LYS A 108 -19.818 -11.140 2.124 1.00 72.15 H new ATOM 0 HZ3 LYS A 108 -19.624 -12.482 3.146 1.00 72.15 H new ATOM 1628 N VAL A 109 -16.133 -8.692 0.078 1.00 63.23 N ATOM 1629 CA VAL A 109 -16.127 -7.260 0.240 1.00 24.31 C ATOM 1630 C VAL A 109 -17.169 -6.811 1.274 1.00 64.03 C ATOM 1631 O VAL A 109 -18.340 -7.127 1.171 1.00 73.14 O ATOM 1632 CB VAL A 109 -16.258 -6.457 -1.105 1.00 22.22 C ATOM 1633 CG1 VAL A 109 -15.138 -6.793 -2.048 1.00 54.24 C ATOM 1634 CG2 VAL A 109 -17.558 -6.679 -1.805 1.00 62.44 C ATOM 0 H VAL A 109 -17.051 -9.092 -0.115 1.00 63.23 H new ATOM 0 HA VAL A 109 -15.136 -7.014 0.621 1.00 24.31 H new ATOM 0 HB VAL A 109 -16.208 -5.407 -0.818 1.00 22.22 H new ATOM 0 HG11 VAL A 109 -15.255 -6.223 -2.970 1.00 54.24 H new ATOM 0 HG12 VAL A 109 -14.184 -6.542 -1.584 1.00 54.24 H new ATOM 0 HG13 VAL A 109 -15.161 -7.859 -2.275 1.00 54.24 H new ATOM 0 HG21 VAL A 109 -17.580 -6.095 -2.725 1.00 62.44 H new ATOM 0 HG22 VAL A 109 -17.666 -7.737 -2.044 1.00 62.44 H new ATOM 0 HG23 VAL A 109 -18.378 -6.368 -1.158 1.00 62.44 H new ATOM 1644 N LEU A 110 -16.734 -6.108 2.271 1.00 61.03 N ATOM 1645 CA LEU A 110 -17.609 -5.603 3.319 1.00 51.11 C ATOM 1646 C LEU A 110 -17.017 -4.272 3.780 1.00 44.11 C ATOM 1647 O LEU A 110 -15.873 -4.025 3.473 1.00 55.53 O ATOM 1648 CB LEU A 110 -17.857 -6.666 4.484 1.00 71.52 C ATOM 1649 CG LEU A 110 -16.690 -7.130 5.399 1.00 13.51 C ATOM 1650 CD1 LEU A 110 -15.514 -7.644 4.635 1.00 44.25 C ATOM 1651 CD2 LEU A 110 -16.309 -6.083 6.421 1.00 63.23 C ATOM 0 H LEU A 110 -15.753 -5.857 2.396 1.00 61.03 H new ATOM 0 HA LEU A 110 -18.617 -5.432 2.942 1.00 51.11 H new ATOM 0 HB2 LEU A 110 -18.629 -6.255 5.134 1.00 71.52 H new ATOM 0 HB3 LEU A 110 -18.274 -7.559 4.019 1.00 71.52 H new ATOM 0 HG LEU A 110 -17.071 -7.984 5.959 1.00 13.51 H new ATOM 0 HD11 LEU A 110 -14.734 -7.952 5.331 1.00 44.25 H new ATOM 0 HD12 LEU A 110 -15.818 -8.498 4.030 1.00 44.25 H new ATOM 0 HD13 LEU A 110 -15.130 -6.858 3.985 1.00 44.25 H new ATOM 0 HD21 LEU A 110 -15.489 -6.456 7.035 1.00 63.23 H new ATOM 0 HD22 LEU A 110 -15.995 -5.173 5.910 1.00 63.23 H new ATOM 0 HD23 LEU A 110 -17.168 -5.864 7.056 1.00 63.23 H new ATOM 1663 N PRO A 111 -17.745 -3.403 4.496 1.00 33.11 N ATOM 1664 CA PRO A 111 -17.230 -2.065 4.856 1.00 2.21 C ATOM 1665 C PRO A 111 -16.045 -2.146 5.805 1.00 32.04 C ATOM 1666 O PRO A 111 -15.952 -3.075 6.612 1.00 24.53 O ATOM 1667 CB PRO A 111 -18.410 -1.406 5.571 1.00 5.51 C ATOM 1668 CG PRO A 111 -19.592 -2.243 5.226 1.00 54.42 C ATOM 1669 CD PRO A 111 -19.075 -3.628 5.055 1.00 44.31 C ATOM 0 HA PRO A 111 -16.878 -1.520 3.980 1.00 2.21 H new ATOM 0 HB2 PRO A 111 -18.250 -1.375 6.649 1.00 5.51 H new ATOM 0 HB3 PRO A 111 -18.546 -0.377 5.240 1.00 5.51 H new ATOM 0 HG2 PRO A 111 -20.344 -2.201 6.014 1.00 54.42 H new ATOM 0 HG3 PRO A 111 -20.068 -1.888 4.312 1.00 54.42 H new ATOM 0 HD2 PRO A 111 -19.031 -4.165 6.003 1.00 44.31 H new ATOM 0 HD3 PRO A 111 -19.703 -4.215 4.385 1.00 44.31 H new ATOM 1677 N LYS A 112 -15.136 -1.189 5.724 1.00 32.22 N ATOM 1678 CA LYS A 112 -14.008 -1.191 6.614 1.00 22.32 C ATOM 1679 C LYS A 112 -14.399 -0.793 8.042 1.00 25.34 C ATOM 1680 O LYS A 112 -14.357 0.373 8.440 1.00 22.02 O ATOM 1681 CB LYS A 112 -12.793 -0.458 6.050 1.00 74.04 C ATOM 1682 CG LYS A 112 -11.584 -0.434 6.988 1.00 51.41 C ATOM 1683 CD LYS A 112 -10.297 -0.229 6.220 1.00 73.24 C ATOM 1684 CE LYS A 112 -10.294 1.019 5.365 1.00 62.12 C ATOM 1685 NZ LYS A 112 -10.170 2.279 6.144 1.00 44.20 N ATOM 0 H LYS A 112 -15.163 -0.416 5.059 1.00 32.22 H new ATOM 0 HA LYS A 112 -13.668 -2.223 6.694 1.00 22.32 H new ATOM 0 HB2 LYS A 112 -12.501 -0.930 5.112 1.00 74.04 H new ATOM 0 HB3 LYS A 112 -13.078 0.568 5.816 1.00 74.04 H new ATOM 0 HG2 LYS A 112 -11.705 0.365 7.720 1.00 51.41 H new ATOM 0 HG3 LYS A 112 -11.533 -1.370 7.544 1.00 51.41 H new ATOM 0 HD2 LYS A 112 -9.467 -0.178 6.925 1.00 73.24 H new ATOM 0 HD3 LYS A 112 -10.122 -1.096 5.583 1.00 73.24 H new ATOM 0 HE2 LYS A 112 -9.470 0.959 4.654 1.00 62.12 H new ATOM 0 HE3 LYS A 112 -11.215 1.052 4.783 1.00 62.12 H new ATOM 0 HZ1 LYS A 112 -10.394 3.089 5.532 1.00 44.20 H new ATOM 0 HZ2 LYS A 112 -10.832 2.258 6.946 1.00 44.20 H new ATOM 0 HZ3 LYS A 112 -9.197 2.373 6.500 1.00 44.20 H new ATOM 2166 N GLY B 21 -8.257 -6.179 9.113 1.00 73.01 N ATOM 2167 CA GLY B 21 -9.528 -6.302 8.491 1.00 51.50 C ATOM 2168 C GLY B 21 -10.330 -7.362 9.187 1.00 24.12 C ATOM 2169 O GLY B 21 -10.184 -7.549 10.393 1.00 61.11 O ATOM 0 HA2 GLY B 21 -10.056 -5.349 8.529 1.00 51.50 H new ATOM 0 HA3 GLY B 21 -9.406 -6.557 7.438 1.00 51.50 H new ATOM 2173 N PRO B 22 -11.203 -8.042 8.473 1.00 51.34 N ATOM 2174 CA PRO B 22 -11.962 -9.177 9.007 1.00 41.04 C ATOM 2175 C PRO B 22 -11.067 -10.353 9.549 1.00 63.13 C ATOM 2176 O PRO B 22 -11.394 -10.912 10.601 1.00 25.14 O ATOM 2177 CB PRO B 22 -12.829 -9.617 7.828 1.00 60.22 C ATOM 2178 CG PRO B 22 -12.888 -8.414 6.950 1.00 71.11 C ATOM 2179 CD PRO B 22 -11.580 -7.733 7.097 1.00 51.11 C ATOM 0 HA PRO B 22 -12.538 -8.887 9.886 1.00 41.04 H new ATOM 0 HB2 PRO B 22 -12.391 -10.469 7.308 1.00 60.22 H new ATOM 0 HB3 PRO B 22 -13.823 -9.920 8.156 1.00 60.22 H new ATOM 0 HG2 PRO B 22 -13.065 -8.697 5.912 1.00 71.11 H new ATOM 0 HG3 PRO B 22 -13.705 -7.756 7.245 1.00 71.11 H new ATOM 0 HD2 PRO B 22 -10.847 -8.109 6.383 1.00 51.11 H new ATOM 0 HD3 PRO B 22 -11.663 -6.659 6.933 1.00 51.11 H new ATOM 2187 N PRO B 23 -9.945 -10.782 8.836 1.00 71.34 N ATOM 2188 CA PRO B 23 -9.022 -11.811 9.353 1.00 32.44 C ATOM 2189 C PRO B 23 -8.514 -11.473 10.728 1.00 2.34 C ATOM 2190 O PRO B 23 -8.449 -10.300 11.126 1.00 2.55 O ATOM 2191 CB PRO B 23 -7.830 -11.790 8.366 1.00 15.21 C ATOM 2192 CG PRO B 23 -8.049 -10.603 7.510 1.00 43.52 C ATOM 2193 CD PRO B 23 -9.517 -10.350 7.506 1.00 73.23 C ATOM 0 HA PRO B 23 -9.520 -12.777 9.429 1.00 32.44 H new ATOM 0 HB2 PRO B 23 -6.881 -11.721 8.898 1.00 15.21 H new ATOM 0 HB3 PRO B 23 -7.797 -12.703 7.771 1.00 15.21 H new ATOM 0 HG2 PRO B 23 -7.508 -9.740 7.898 1.00 43.52 H new ATOM 0 HG3 PRO B 23 -7.683 -10.781 6.499 1.00 43.52 H new ATOM 0 HD2 PRO B 23 -9.742 -9.297 7.335 1.00 73.23 H new ATOM 0 HD3 PRO B 23 -10.019 -10.915 6.720 1.00 73.23 H new ATOM 2201 N GLN B 24 -8.140 -12.473 11.443 1.00 62.11 N ATOM 2202 CA GLN B 24 -7.596 -12.273 12.728 1.00 3.31 C ATOM 2203 C GLN B 24 -6.116 -11.980 12.562 1.00 34.41 C ATOM 2204 O GLN B 24 -5.428 -12.666 11.784 1.00 1.32 O ATOM 2205 CB GLN B 24 -7.860 -13.460 13.697 1.00 31.12 C ATOM 2206 CG GLN B 24 -7.422 -14.840 13.211 1.00 71.21 C ATOM 2207 CD GLN B 24 -8.273 -15.382 12.071 1.00 43.24 C ATOM 2208 OE1 GLN B 24 -7.969 -15.174 10.896 1.00 1.43 O ATOM 2209 NE2 GLN B 24 -9.338 -16.057 12.402 1.00 31.05 N ATOM 0 H GLN B 24 -8.204 -13.448 11.151 1.00 62.11 H new ATOM 0 HA GLN B 24 -8.094 -11.427 13.201 1.00 3.31 H new ATOM 0 HB2 GLN B 24 -7.353 -13.252 14.639 1.00 31.12 H new ATOM 0 HB3 GLN B 24 -8.928 -13.496 13.911 1.00 31.12 H new ATOM 0 HG2 GLN B 24 -6.383 -14.789 12.885 1.00 71.21 H new ATOM 0 HG3 GLN B 24 -7.460 -15.539 14.046 1.00 71.21 H new ATOM 0 HE21 GLN B 24 -9.559 -16.210 13.386 1.00 31.05 H new ATOM 0 HE22 GLN B 24 -9.950 -16.432 11.677 1.00 31.05 H new ATOM 2218 N PRO B 25 -5.609 -10.949 13.233 1.00 1.32 N ATOM 2219 CA PRO B 25 -4.231 -10.527 13.081 1.00 65.43 C ATOM 2220 C PRO B 25 -3.254 -11.611 13.488 1.00 63.32 C ATOM 2221 O PRO B 25 -3.465 -12.321 14.479 1.00 33.31 O ATOM 2222 CB PRO B 25 -4.099 -9.321 14.025 1.00 13.10 C ATOM 2223 CG PRO B 25 -5.490 -8.889 14.301 1.00 34.10 C ATOM 2224 CD PRO B 25 -6.333 -10.121 14.209 1.00 72.25 C ATOM 0 HA PRO B 25 -3.999 -10.293 12.042 1.00 65.43 H new ATOM 0 HB2 PRO B 25 -3.582 -9.596 14.945 1.00 13.10 H new ATOM 0 HB3 PRO B 25 -3.522 -8.520 13.562 1.00 13.10 H new ATOM 0 HG2 PRO B 25 -5.569 -8.436 15.289 1.00 34.10 H new ATOM 0 HG3 PRO B 25 -5.816 -8.139 13.580 1.00 34.10 H new ATOM 0 HD2 PRO B 25 -6.423 -10.621 15.173 1.00 72.25 H new ATOM 0 HD3 PRO B 25 -7.344 -9.893 13.873 1.00 72.25 H new ATOM 2232 N LEU B 26 -2.208 -11.754 12.712 1.00 3.43 N ATOM 2233 CA LEU B 26 -1.148 -12.679 13.032 1.00 15.32 C ATOM 2234 C LEU B 26 -0.367 -12.199 14.266 1.00 63.31 C ATOM 2235 O LEU B 26 -0.647 -11.103 14.775 1.00 23.54 O ATOM 2236 CB LEU B 26 -0.261 -13.080 11.787 1.00 12.11 C ATOM 2237 CG LEU B 26 0.386 -11.986 10.872 1.00 0.15 C ATOM 2238 CD1 LEU B 26 -0.648 -11.113 10.146 1.00 24.11 C ATOM 2239 CD2 LEU B 26 1.367 -11.133 11.641 1.00 30.30 C ATOM 0 H LEU B 26 -2.067 -11.236 11.845 1.00 3.43 H new ATOM 0 HA LEU B 26 -1.602 -13.629 13.313 1.00 15.32 H new ATOM 0 HB2 LEU B 26 0.551 -13.704 12.161 1.00 12.11 H new ATOM 0 HB3 LEU B 26 -0.877 -13.709 11.145 1.00 12.11 H new ATOM 0 HG LEU B 26 0.931 -12.528 10.099 1.00 0.15 H new ATOM 0 HD11 LEU B 26 -0.133 -10.376 9.529 1.00 24.11 H new ATOM 0 HD12 LEU B 26 -1.275 -11.741 9.513 1.00 24.11 H new ATOM 0 HD13 LEU B 26 -1.271 -10.601 10.879 1.00 24.11 H new ATOM 0 HD21 LEU B 26 1.797 -10.384 10.976 1.00 30.30 H new ATOM 0 HD22 LEU B 26 0.851 -10.635 12.462 1.00 30.30 H new ATOM 0 HD23 LEU B 26 2.162 -11.763 12.041 1.00 30.30 H new ATOM 2251 N SER B 27 0.594 -12.986 14.732 1.00 23.24 N ATOM 2252 CA SER B 27 1.251 -12.722 16.016 1.00 35.30 C ATOM 2253 C SER B 27 1.822 -11.293 16.121 1.00 31.00 C ATOM 2254 O SER B 27 2.351 -10.737 15.150 1.00 41.24 O ATOM 2255 CB SER B 27 2.389 -13.708 16.198 1.00 45.12 C ATOM 2256 OG SER B 27 1.967 -15.053 16.009 1.00 34.23 O ATOM 0 H SER B 27 0.939 -13.813 14.244 1.00 23.24 H new ATOM 0 HA SER B 27 0.493 -12.831 16.791 1.00 35.30 H new ATOM 0 HB2 SER B 27 3.186 -13.476 15.491 1.00 45.12 H new ATOM 0 HB3 SER B 27 2.808 -13.597 17.198 1.00 45.12 H new ATOM 0 HG SER B 27 2.624 -15.528 15.458 1.00 34.23 H new ATOM 2262 N ALA B 28 1.715 -10.739 17.321 1.00 20.14 N ATOM 2263 CA ALA B 28 2.224 -9.414 17.637 1.00 40.22 C ATOM 2264 C ALA B 28 3.705 -9.278 17.318 1.00 5.30 C ATOM 2265 O ALA B 28 4.139 -8.269 16.755 1.00 72.14 O ATOM 2266 CB ALA B 28 1.948 -9.063 19.088 1.00 12.10 C ATOM 0 H ALA B 28 1.267 -11.204 18.111 1.00 20.14 H new ATOM 0 HA ALA B 28 1.693 -8.705 17.002 1.00 40.22 H new ATOM 0 HB1 ALA B 28 2.337 -8.068 19.302 1.00 12.10 H new ATOM 0 HB2 ALA B 28 0.873 -9.079 19.268 1.00 12.10 H new ATOM 0 HB3 ALA B 28 2.435 -9.790 19.737 1.00 12.10 H new ATOM 2272 N GLU B 29 4.482 -10.278 17.660 1.00 4.53 N ATOM 2273 CA GLU B 29 5.895 -10.221 17.385 1.00 44.25 C ATOM 2274 C GLU B 29 6.252 -10.486 15.933 1.00 64.44 C ATOM 2275 O GLU B 29 7.249 -9.948 15.440 1.00 1.32 O ATOM 2276 CB GLU B 29 6.734 -10.939 18.402 1.00 63.44 C ATOM 2277 CG GLU B 29 6.564 -10.309 19.758 1.00 4.42 C ATOM 2278 CD GLU B 29 7.469 -10.891 20.800 1.00 74.42 C ATOM 2279 OE1 GLU B 29 7.254 -12.018 21.211 1.00 43.22 O ATOM 2280 OE2 GLU B 29 8.417 -10.222 21.207 1.00 54.42 O ATOM 0 H GLU B 29 4.164 -11.130 18.123 1.00 4.53 H new ATOM 0 HA GLU B 29 6.177 -9.176 17.518 1.00 44.25 H new ATOM 0 HB2 GLU B 29 6.448 -11.990 18.443 1.00 63.44 H new ATOM 0 HB3 GLU B 29 7.783 -10.906 18.107 1.00 63.44 H new ATOM 0 HG2 GLU B 29 6.753 -9.238 19.680 1.00 4.42 H new ATOM 0 HG3 GLU B 29 5.529 -10.427 20.079 1.00 4.42 H new ATOM 2287 N GLU B 30 5.432 -11.302 15.231 1.00 32.24 N ATOM 2288 CA GLU B 30 5.570 -11.421 13.763 1.00 12.04 C ATOM 2289 C GLU B 30 5.432 -10.060 13.152 1.00 33.41 C ATOM 2290 O GLU B 30 6.127 -9.722 12.219 1.00 5.55 O ATOM 2291 CB GLU B 30 4.511 -12.337 13.109 1.00 74.01 C ATOM 2292 CG GLU B 30 4.915 -13.780 12.892 1.00 24.53 C ATOM 2293 CD GLU B 30 5.154 -14.561 14.143 1.00 52.54 C ATOM 2294 OE1 GLU B 30 6.198 -14.398 14.759 1.00 43.22 O ATOM 2295 OE2 GLU B 30 4.300 -15.374 14.510 1.00 71.43 O ATOM 0 H GLU B 30 4.691 -11.870 15.642 1.00 32.24 H new ATOM 0 HA GLU B 30 6.548 -11.866 13.582 1.00 12.04 H new ATOM 0 HB2 GLU B 30 3.615 -12.322 13.730 1.00 74.01 H new ATOM 0 HB3 GLU B 30 4.237 -11.909 12.144 1.00 74.01 H new ATOM 0 HG2 GLU B 30 4.136 -14.277 12.314 1.00 24.53 H new ATOM 0 HG3 GLU B 30 5.823 -13.801 12.289 1.00 24.53 H new ATOM 2302 N LYS B 31 4.566 -9.262 13.751 1.00 1.22 N ATOM 2303 CA LYS B 31 4.296 -7.938 13.277 1.00 43.15 C ATOM 2304 C LYS B 31 5.462 -7.019 13.564 1.00 15.34 C ATOM 2305 O LYS B 31 5.825 -6.204 12.741 1.00 52.43 O ATOM 2306 CB LYS B 31 2.998 -7.392 13.869 1.00 52.24 C ATOM 2307 CG LYS B 31 1.757 -8.059 13.317 1.00 25.43 C ATOM 2308 CD LYS B 31 0.498 -7.548 13.986 1.00 5.01 C ATOM 2309 CE LYS B 31 -0.751 -8.022 13.251 1.00 41.24 C ATOM 2310 NZ LYS B 31 -0.835 -7.445 11.887 1.00 61.13 N ATOM 0 H LYS B 31 4.035 -9.525 14.581 1.00 1.22 H new ATOM 0 HA LYS B 31 4.165 -7.986 12.196 1.00 43.15 H new ATOM 0 HB2 LYS B 31 3.019 -7.520 14.951 1.00 52.24 H new ATOM 0 HB3 LYS B 31 2.942 -6.321 13.676 1.00 52.24 H new ATOM 0 HG2 LYS B 31 1.696 -7.881 12.243 1.00 25.43 H new ATOM 0 HG3 LYS B 31 1.831 -9.137 13.458 1.00 25.43 H new ATOM 0 HD2 LYS B 31 0.467 -7.893 15.020 1.00 5.01 H new ATOM 0 HD3 LYS B 31 0.515 -6.458 14.014 1.00 5.01 H new ATOM 0 HE2 LYS B 31 -0.745 -9.110 13.186 1.00 41.24 H new ATOM 0 HE3 LYS B 31 -1.637 -7.742 13.820 1.00 41.24 H new ATOM 0 HZ1 LYS B 31 -1.820 -7.483 11.554 1.00 61.13 H new ATOM 0 HZ2 LYS B 31 -0.514 -6.456 11.908 1.00 61.13 H new ATOM 0 HZ3 LYS B 31 -0.230 -7.991 11.241 1.00 61.13 H new ATOM 2324 N LYS B 32 6.074 -7.165 14.734 1.00 63.42 N ATOM 2325 CA LYS B 32 7.219 -6.349 15.099 1.00 63.52 C ATOM 2326 C LYS B 32 8.405 -6.615 14.220 1.00 35.11 C ATOM 2327 O LYS B 32 9.027 -5.679 13.720 1.00 73.24 O ATOM 2328 CB LYS B 32 7.581 -6.543 16.585 1.00 62.02 C ATOM 2329 CG LYS B 32 6.962 -5.556 17.631 1.00 22.01 C ATOM 2330 CD LYS B 32 5.429 -5.328 17.648 1.00 44.00 C ATOM 2331 CE LYS B 32 4.858 -4.821 16.328 1.00 60.03 C ATOM 2332 NZ LYS B 32 5.520 -3.574 15.830 1.00 75.15 N ATOM 0 H LYS B 32 5.794 -7.842 15.444 1.00 63.42 H new ATOM 0 HA LYS B 32 6.933 -5.308 14.947 1.00 63.52 H new ATOM 0 HB2 LYS B 32 7.291 -7.555 16.869 1.00 62.02 H new ATOM 0 HB3 LYS B 32 8.666 -6.485 16.674 1.00 62.02 H new ATOM 0 HG2 LYS B 32 7.252 -5.906 18.622 1.00 22.01 H new ATOM 0 HG3 LYS B 32 7.435 -4.585 17.485 1.00 22.01 H new ATOM 0 HD2 LYS B 32 4.936 -6.265 17.908 1.00 44.00 H new ATOM 0 HD3 LYS B 32 5.188 -4.612 18.434 1.00 44.00 H new ATOM 0 HE2 LYS B 32 4.958 -5.602 15.574 1.00 60.03 H new ATOM 0 HE3 LYS B 32 3.792 -4.632 16.451 1.00 60.03 H new ATOM 0 HZ1 LYS B 32 5.246 -3.407 14.841 1.00 75.15 H new ATOM 0 HZ2 LYS B 32 5.222 -2.766 16.413 1.00 75.15 H new ATOM 0 HZ3 LYS B 32 6.553 -3.681 15.890 1.00 75.15 H new ATOM 2346 N GLU B 33 8.695 -7.879 13.992 1.00 54.55 N ATOM 2347 CA GLU B 33 9.835 -8.245 13.185 1.00 43.21 C ATOM 2348 C GLU B 33 9.681 -7.783 11.756 1.00 51.20 C ATOM 2349 O GLU B 33 10.647 -7.359 11.141 1.00 35.31 O ATOM 2350 CB GLU B 33 10.133 -9.732 13.260 1.00 22.13 C ATOM 2351 CG GLU B 33 10.652 -10.182 14.615 1.00 21.14 C ATOM 2352 CD GLU B 33 11.936 -9.464 14.997 1.00 74.24 C ATOM 2353 OE1 GLU B 33 12.918 -9.557 14.265 1.00 53.30 O ATOM 2354 OE2 GLU B 33 11.977 -8.814 16.046 1.00 63.44 O ATOM 0 H GLU B 33 8.157 -8.667 14.354 1.00 54.55 H new ATOM 0 HA GLU B 33 10.696 -7.725 13.604 1.00 43.21 H new ATOM 0 HB2 GLU B 33 9.225 -10.288 13.025 1.00 22.13 H new ATOM 0 HB3 GLU B 33 10.868 -9.985 12.496 1.00 22.13 H new ATOM 0 HG2 GLU B 33 9.893 -9.996 15.375 1.00 21.14 H new ATOM 0 HG3 GLU B 33 10.829 -11.257 14.597 1.00 21.14 H new ATOM 2361 N ILE B 34 8.464 -7.817 11.258 1.00 55.23 N ATOM 2362 CA ILE B 34 8.212 -7.384 9.901 1.00 14.03 C ATOM 2363 C ILE B 34 8.348 -5.884 9.739 1.00 21.35 C ATOM 2364 O ILE B 34 8.816 -5.426 8.709 1.00 1.41 O ATOM 2365 CB ILE B 34 6.948 -7.956 9.213 1.00 51.33 C ATOM 2366 CG1 ILE B 34 5.696 -7.634 10.017 1.00 50.24 C ATOM 2367 CG2 ILE B 34 7.105 -9.464 9.031 1.00 54.31 C ATOM 2368 CD1 ILE B 34 4.422 -8.217 9.450 1.00 22.22 C ATOM 0 H ILE B 34 7.640 -8.137 11.767 1.00 55.23 H new ATOM 0 HA ILE B 34 9.018 -7.853 9.336 1.00 14.03 H new ATOM 0 HB ILE B 34 6.837 -7.489 8.234 1.00 51.33 H new ATOM 0 HG12 ILE B 34 5.828 -8.002 11.035 1.00 50.24 H new ATOM 0 HG13 ILE B 34 5.589 -6.551 10.081 1.00 50.24 H new ATOM 0 HG21 ILE B 34 6.215 -9.867 8.547 1.00 54.31 H new ATOM 0 HG22 ILE B 34 7.979 -9.667 8.411 1.00 54.31 H new ATOM 0 HG23 ILE B 34 7.233 -9.937 10.005 1.00 54.31 H new ATOM 0 HD11 ILE B 34 3.581 -7.939 10.085 1.00 22.22 H new ATOM 0 HD12 ILE B 34 4.261 -7.830 8.444 1.00 22.22 H new ATOM 0 HD13 ILE B 34 4.504 -9.303 9.412 1.00 22.22 H new ATOM 2380 N ASP B 35 7.976 -5.104 10.784 1.00 73.23 N ATOM 2381 CA ASP B 35 8.132 -3.636 10.717 1.00 42.24 C ATOM 2382 C ASP B 35 9.585 -3.301 10.702 1.00 25.04 C ATOM 2383 O ASP B 35 10.043 -2.450 9.959 1.00 4.23 O ATOM 2384 CB ASP B 35 7.575 -2.891 11.924 1.00 61.44 C ATOM 2385 CG ASP B 35 6.119 -2.927 12.123 1.00 24.22 C ATOM 2386 OD1 ASP B 35 5.422 -2.363 11.280 1.00 45.43 O ATOM 2387 OD2 ASP B 35 5.658 -3.412 13.181 1.00 44.41 O ATOM 0 H ASP B 35 7.579 -5.455 11.655 1.00 73.23 H new ATOM 0 HA ASP B 35 7.588 -3.333 9.822 1.00 42.24 H new ATOM 0 HB2 ASP B 35 8.048 -3.296 12.819 1.00 61.44 H new ATOM 0 HB3 ASP B 35 7.880 -1.847 11.847 1.00 61.44 H new ATOM 2392 N LYS B 36 10.315 -3.978 11.546 1.00 72.53 N ATOM 2393 CA LYS B 36 11.747 -3.787 11.684 1.00 22.35 C ATOM 2394 C LYS B 36 12.476 -4.096 10.369 1.00 22.43 C ATOM 2395 O LYS B 36 13.598 -3.651 10.150 1.00 61.41 O ATOM 2396 CB LYS B 36 12.261 -4.674 12.809 1.00 42.13 C ATOM 2397 CG LYS B 36 11.735 -4.297 14.195 1.00 61.02 C ATOM 2398 CD LYS B 36 12.049 -5.372 15.233 1.00 11.52 C ATOM 2399 CE LYS B 36 13.532 -5.666 15.335 1.00 1.14 C ATOM 2400 NZ LYS B 36 13.802 -6.736 16.313 1.00 15.05 N ATOM 0 H LYS B 36 9.934 -4.690 12.169 1.00 72.53 H new ATOM 0 HA LYS B 36 11.945 -2.743 11.926 1.00 22.35 H new ATOM 0 HB2 LYS B 36 11.985 -5.707 12.597 1.00 42.13 H new ATOM 0 HB3 LYS B 36 13.350 -4.631 12.822 1.00 42.13 H new ATOM 0 HG2 LYS B 36 12.177 -3.351 14.507 1.00 61.02 H new ATOM 0 HG3 LYS B 36 10.657 -4.144 14.145 1.00 61.02 H new ATOM 0 HD2 LYS B 36 11.678 -5.052 16.206 1.00 11.52 H new ATOM 0 HD3 LYS B 36 11.517 -6.288 14.975 1.00 11.52 H new ATOM 0 HE2 LYS B 36 13.914 -5.960 14.357 1.00 1.14 H new ATOM 0 HE3 LYS B 36 14.065 -4.761 15.627 1.00 1.14 H new ATOM 0 HZ1 LYS B 36 14.655 -7.259 16.029 1.00 15.05 H new ATOM 0 HZ2 LYS B 36 13.950 -6.317 17.254 1.00 15.05 H new ATOM 0 HZ3 LYS B 36 12.992 -7.388 16.347 1.00 15.05 H new ATOM 2414 N ARG B 37 11.821 -4.838 9.502 1.00 70.15 N ATOM 2415 CA ARG B 37 12.366 -5.211 8.209 1.00 72.45 C ATOM 2416 C ARG B 37 11.565 -4.513 7.098 1.00 22.42 C ATOM 2417 O ARG B 37 11.697 -4.839 5.926 1.00 3.21 O ATOM 2418 CB ARG B 37 12.245 -6.719 8.049 1.00 61.25 C ATOM 2419 CG ARG B 37 12.902 -7.507 9.165 1.00 25.42 C ATOM 2420 CD ARG B 37 12.542 -8.976 9.091 1.00 34.51 C ATOM 2421 NE ARG B 37 13.021 -9.734 10.262 1.00 60.11 N ATOM 2422 CZ ARG B 37 12.518 -10.915 10.664 1.00 45.23 C ATOM 2423 NH1 ARG B 37 11.551 -11.495 9.967 1.00 12.25 N ATOM 2424 NH2 ARG B 37 12.990 -11.511 11.760 1.00 33.14 N ATOM 0 H ARG B 37 10.885 -5.204 9.674 1.00 70.15 H new ATOM 0 HA ARG B 37 13.412 -4.911 8.142 1.00 72.45 H new ATOM 0 HB2 ARG B 37 11.189 -6.986 8.001 1.00 61.25 H new ATOM 0 HB3 ARG B 37 12.692 -7.011 7.099 1.00 61.25 H new ATOM 0 HG2 ARG B 37 13.984 -7.393 9.105 1.00 25.42 H new ATOM 0 HG3 ARG B 37 12.592 -7.103 10.129 1.00 25.42 H new ATOM 0 HD2 ARG B 37 11.460 -9.078 9.014 1.00 34.51 H new ATOM 0 HD3 ARG B 37 12.968 -9.406 8.185 1.00 34.51 H new ATOM 0 HE ARG B 37 13.787 -9.335 10.805 1.00 60.11 H new ATOM 0 HH11 ARG B 37 11.189 -11.046 9.126 1.00 12.25 H new ATOM 0 HH12 ARG B 37 11.169 -12.391 10.272 1.00 12.25 H new ATOM 0 HH21 ARG B 37 13.736 -11.071 12.298 1.00 33.14 H new ATOM 0 HH22 ARG B 37 12.604 -12.406 12.060 1.00 33.14 H new ATOM 2438 N SER B 38 10.738 -3.562 7.490 1.00 74.15 N ATOM 2439 CA SER B 38 9.880 -2.858 6.568 1.00 14.45 C ATOM 2440 C SER B 38 10.455 -1.520 6.175 1.00 12.12 C ATOM 2441 O SER B 38 11.158 -0.863 6.950 1.00 75.31 O ATOM 2442 CB SER B 38 8.480 -2.679 7.168 1.00 1.50 C ATOM 2443 OG SER B 38 7.584 -2.081 6.237 1.00 61.52 O ATOM 0 H SER B 38 10.645 -3.259 8.459 1.00 74.15 H new ATOM 0 HA SER B 38 9.806 -3.463 5.665 1.00 14.45 H new ATOM 0 HB2 SER B 38 8.090 -3.648 7.478 1.00 1.50 H new ATOM 0 HB3 SER B 38 8.543 -2.059 8.063 1.00 1.50 H new ATOM 0 HG SER B 38 7.850 -2.323 5.325 1.00 61.52 H new ATOM 2449 N VAL B 39 10.106 -1.113 4.989 1.00 3.40 N ATOM 2450 CA VAL B 39 10.553 0.103 4.414 1.00 31.30 C ATOM 2451 C VAL B 39 9.313 0.838 3.925 1.00 43.22 C ATOM 2452 O VAL B 39 8.267 0.225 3.694 1.00 53.02 O ATOM 2453 CB VAL B 39 11.467 -0.143 3.164 1.00 2.02 C ATOM 2454 CG1 VAL B 39 12.183 1.127 2.740 1.00 61.32 C ATOM 2455 CG2 VAL B 39 12.474 -1.231 3.406 1.00 42.42 C ATOM 0 H VAL B 39 9.481 -1.644 4.382 1.00 3.40 H new ATOM 0 HA VAL B 39 11.124 0.658 5.158 1.00 31.30 H new ATOM 0 HB VAL B 39 10.805 -0.462 2.359 1.00 2.02 H new ATOM 0 HG11 VAL B 39 12.808 0.920 1.871 1.00 61.32 H new ATOM 0 HG12 VAL B 39 11.449 1.891 2.485 1.00 61.32 H new ATOM 0 HG13 VAL B 39 12.808 1.483 3.559 1.00 61.32 H new ATOM 0 HG21 VAL B 39 13.085 -1.367 2.513 1.00 42.42 H new ATOM 0 HG22 VAL B 39 13.113 -0.955 4.245 1.00 42.42 H new ATOM 0 HG23 VAL B 39 11.956 -2.162 3.636 1.00 42.42 H new ATOM 2465 N TYR B 40 9.443 2.092 3.765 1.00 11.11 N ATOM 2466 CA TYR B 40 8.464 2.935 3.215 1.00 34.13 C ATOM 2467 C TYR B 40 8.975 3.359 1.890 1.00 73.32 C ATOM 2468 O TYR B 40 10.080 3.861 1.794 1.00 42.44 O ATOM 2469 CB TYR B 40 8.242 4.175 4.080 1.00 31.13 C ATOM 2470 CG TYR B 40 7.499 5.280 3.353 1.00 73.21 C ATOM 2471 CD1 TYR B 40 6.146 5.247 3.227 1.00 72.41 C ATOM 2472 CD2 TYR B 40 8.189 6.342 2.781 1.00 2.10 C ATOM 2473 CE1 TYR B 40 5.470 6.233 2.565 1.00 3.33 C ATOM 2474 CE2 TYR B 40 7.553 7.335 2.115 1.00 51.41 C ATOM 2475 CZ TYR B 40 6.170 7.286 2.008 1.00 31.43 C ATOM 2476 OH TYR B 40 5.489 8.273 1.344 1.00 63.22 O ATOM 0 H TYR B 40 10.292 2.591 4.032 1.00 11.11 H new ATOM 0 HA TYR B 40 7.513 2.407 3.147 1.00 34.13 H new ATOM 0 HB2 TYR B 40 7.682 3.894 4.972 1.00 31.13 H new ATOM 0 HB3 TYR B 40 9.207 4.554 4.416 1.00 31.13 H new ATOM 0 HD1 TYR B 40 5.594 4.425 3.659 1.00 72.41 H new ATOM 0 HD2 TYR B 40 9.265 6.377 2.870 1.00 2.10 H new ATOM 0 HE1 TYR B 40 4.394 6.189 2.478 1.00 3.33 H new ATOM 0 HE2 TYR B 40 8.111 8.149 1.676 1.00 51.41 H new ATOM 0 HH TYR B 40 4.529 8.075 1.359 1.00 63.22 H new ATOM 2486 N VAL B 41 8.216 3.146 0.901 1.00 55.20 N ATOM 2487 CA VAL B 41 8.540 3.514 -0.425 1.00 44.23 C ATOM 2488 C VAL B 41 7.519 4.514 -0.862 1.00 1.51 C ATOM 2489 O VAL B 41 6.380 4.170 -1.081 1.00 32.13 O ATOM 2490 CB VAL B 41 8.440 2.286 -1.340 1.00 51.45 C ATOM 2491 CG1 VAL B 41 8.806 2.624 -2.783 1.00 22.35 C ATOM 2492 CG2 VAL B 41 9.290 1.153 -0.811 1.00 1.10 C ATOM 0 H VAL B 41 7.308 2.690 0.986 1.00 55.20 H new ATOM 0 HA VAL B 41 9.551 3.919 -0.476 1.00 44.23 H new ATOM 0 HB VAL B 41 7.400 1.960 -1.341 1.00 51.45 H new ATOM 0 HG11 VAL B 41 8.723 1.728 -3.399 1.00 22.35 H new ATOM 0 HG12 VAL B 41 8.127 3.389 -3.161 1.00 22.35 H new ATOM 0 HG13 VAL B 41 9.830 2.997 -2.821 1.00 22.35 H new ATOM 0 HG21 VAL B 41 9.204 0.293 -1.475 1.00 1.10 H new ATOM 0 HG22 VAL B 41 10.331 1.471 -0.763 1.00 1.10 H new ATOM 0 HG23 VAL B 41 8.948 0.877 0.187 1.00 1.10 H new ATOM 2502 N GLY B 42 7.884 5.732 -0.954 1.00 74.12 N ATOM 2503 CA GLY B 42 6.914 6.694 -1.325 1.00 50.35 C ATOM 2504 C GLY B 42 7.201 7.306 -2.641 1.00 63.14 C ATOM 2505 O GLY B 42 8.265 7.073 -3.224 1.00 53.25 O ATOM 0 H GLY B 42 8.825 6.087 -0.783 1.00 74.12 H new ATOM 0 HA2 GLY B 42 5.931 6.223 -1.353 1.00 50.35 H new ATOM 0 HA3 GLY B 42 6.872 7.475 -0.566 1.00 50.35 H new ATOM 2509 N ASN B 43 6.263 8.106 -3.083 1.00 44.15 N ATOM 2510 CA ASN B 43 6.290 8.807 -4.405 1.00 44.31 C ATOM 2511 C ASN B 43 6.302 7.827 -5.610 1.00 22.13 C ATOM 2512 O ASN B 43 6.451 8.250 -6.752 1.00 3.43 O ATOM 2513 CB ASN B 43 7.492 9.787 -4.524 1.00 34.44 C ATOM 2514 CG ASN B 43 7.339 10.757 -5.707 1.00 35.01 C ATOM 2515 OD1 ASN B 43 6.223 11.170 -6.045 1.00 2.35 O ATOM 2516 ND2 ASN B 43 8.418 11.088 -6.377 1.00 5.14 N ATOM 0 H ASN B 43 5.424 8.313 -2.541 1.00 44.15 H new ATOM 0 HA ASN B 43 5.362 9.378 -4.443 1.00 44.31 H new ATOM 0 HB2 ASN B 43 7.586 10.357 -3.600 1.00 34.44 H new ATOM 0 HB3 ASN B 43 8.413 9.216 -4.642 1.00 34.44 H new ATOM 0 HD21 ASN B 43 8.345 11.696 -7.193 1.00 5.14 H new ATOM 0 HD22 ASN B 43 9.329 10.737 -6.082 1.00 5.14 H new ATOM 2523 N VAL B 44 6.165 6.535 -5.352 1.00 51.23 N ATOM 2524 CA VAL B 44 6.039 5.568 -6.437 1.00 12.53 C ATOM 2525 C VAL B 44 4.786 5.918 -7.207 1.00 35.11 C ATOM 2526 O VAL B 44 3.740 6.188 -6.622 1.00 3.14 O ATOM 2527 CB VAL B 44 6.042 4.079 -5.927 1.00 31.44 C ATOM 2528 CG1 VAL B 44 4.910 3.787 -4.957 1.00 0.15 C ATOM 2529 CG2 VAL B 44 6.025 3.102 -7.088 1.00 44.05 C ATOM 0 H VAL B 44 6.138 6.134 -4.415 1.00 51.23 H new ATOM 0 HA VAL B 44 6.908 5.629 -7.092 1.00 12.53 H new ATOM 0 HB VAL B 44 6.972 3.944 -5.374 1.00 31.44 H new ATOM 0 HG11 VAL B 44 4.963 2.746 -4.639 1.00 0.15 H new ATOM 0 HG12 VAL B 44 5.000 4.437 -4.087 1.00 0.15 H new ATOM 0 HG13 VAL B 44 3.954 3.969 -5.448 1.00 0.15 H new ATOM 0 HG21 VAL B 44 6.028 2.082 -6.705 1.00 44.05 H new ATOM 0 HG22 VAL B 44 5.128 3.263 -7.686 1.00 44.05 H new ATOM 0 HG23 VAL B 44 6.907 3.259 -7.708 1.00 44.05 H new ATOM 2539 N ASP B 45 4.888 5.992 -8.498 1.00 22.24 N ATOM 2540 CA ASP B 45 3.777 6.470 -9.241 1.00 22.54 C ATOM 2541 C ASP B 45 2.846 5.367 -9.583 1.00 41.14 C ATOM 2542 O ASP B 45 3.186 4.185 -9.477 1.00 41.25 O ATOM 2543 CB ASP B 45 4.154 7.283 -10.483 1.00 14.13 C ATOM 2544 CG ASP B 45 4.721 6.482 -11.614 1.00 44.21 C ATOM 2545 OD1 ASP B 45 5.935 6.269 -11.651 1.00 3.31 O ATOM 2546 OD2 ASP B 45 3.942 6.104 -12.509 1.00 54.12 O ATOM 0 H ASP B 45 5.710 5.733 -9.043 1.00 22.24 H new ATOM 0 HA ASP B 45 3.266 7.170 -8.581 1.00 22.54 H new ATOM 0 HB2 ASP B 45 3.267 7.808 -10.838 1.00 14.13 H new ATOM 0 HB3 ASP B 45 4.881 8.043 -10.195 1.00 14.13 H new ATOM 2551 N TYR B 46 1.694 5.768 -10.031 1.00 11.12 N ATOM 2552 CA TYR B 46 0.590 4.890 -10.327 1.00 24.13 C ATOM 2553 C TYR B 46 0.942 3.916 -11.485 1.00 21.33 C ATOM 2554 O TYR B 46 0.231 2.940 -11.744 1.00 60.31 O ATOM 2555 CB TYR B 46 -0.617 5.753 -10.674 1.00 24.44 C ATOM 2556 CG TYR B 46 -1.900 5.011 -10.745 1.00 72.42 C ATOM 2557 CD1 TYR B 46 -2.601 4.740 -9.594 1.00 34.51 C ATOM 2558 CD2 TYR B 46 -2.420 4.590 -11.951 1.00 12.41 C ATOM 2559 CE1 TYR B 46 -3.773 4.064 -9.624 1.00 31.34 C ATOM 2560 CE2 TYR B 46 -3.595 3.915 -12.007 1.00 54.12 C ATOM 2561 CZ TYR B 46 -4.279 3.639 -10.860 1.00 20.13 C ATOM 2562 OH TYR B 46 -5.455 2.935 -10.945 1.00 71.13 O ATOM 0 H TYR B 46 1.485 6.750 -10.208 1.00 11.12 H new ATOM 0 HA TYR B 46 0.363 4.270 -9.459 1.00 24.13 H new ATOM 0 HB2 TYR B 46 -0.709 6.544 -9.930 1.00 24.44 H new ATOM 0 HB3 TYR B 46 -0.438 6.238 -11.634 1.00 24.44 H new ATOM 0 HD1 TYR B 46 -2.208 5.074 -8.645 1.00 34.51 H new ATOM 0 HD2 TYR B 46 -1.884 4.801 -12.864 1.00 12.41 H new ATOM 0 HE1 TYR B 46 -4.310 3.855 -8.710 1.00 31.34 H new ATOM 0 HE2 TYR B 46 -3.989 3.596 -12.961 1.00 54.12 H new ATOM 0 HH TYR B 46 -5.849 2.848 -10.052 1.00 71.13 H new ATOM 2572 N GLY B 47 2.040 4.196 -12.161 1.00 21.30 N ATOM 2573 CA GLY B 47 2.494 3.372 -13.224 1.00 21.33 C ATOM 2574 C GLY B 47 3.171 2.116 -12.734 1.00 63.40 C ATOM 2575 O GLY B 47 3.227 1.125 -13.471 1.00 72.55 O ATOM 0 H GLY B 47 2.631 5.006 -11.975 1.00 21.30 H new ATOM 0 HA2 GLY B 47 1.648 3.102 -13.856 1.00 21.33 H new ATOM 0 HA3 GLY B 47 3.189 3.937 -13.845 1.00 21.33 H new ATOM 2579 N SER B 48 3.695 2.124 -11.505 1.00 70.01 N ATOM 2580 CA SER B 48 4.306 0.925 -10.989 1.00 3.52 C ATOM 2581 C SER B 48 3.237 0.107 -10.268 1.00 5.34 C ATOM 2582 O SER B 48 2.251 0.651 -9.767 1.00 13.23 O ATOM 2583 CB SER B 48 5.485 1.235 -10.031 1.00 71.12 C ATOM 2584 OG SER B 48 6.171 0.045 -9.641 1.00 3.22 O ATOM 0 H SER B 48 3.703 2.927 -10.876 1.00 70.01 H new ATOM 0 HA SER B 48 4.720 0.359 -11.823 1.00 3.52 H new ATOM 0 HB2 SER B 48 6.183 1.915 -10.520 1.00 71.12 H new ATOM 0 HB3 SER B 48 5.110 1.747 -9.145 1.00 71.12 H new ATOM 0 HG SER B 48 6.714 -0.280 -10.390 1.00 3.22 H new ATOM 2590 N THR B 49 3.423 -1.177 -10.239 1.00 72.43 N ATOM 2591 CA THR B 49 2.514 -2.064 -9.589 1.00 74.12 C ATOM 2592 C THR B 49 3.299 -3.029 -8.737 1.00 32.05 C ATOM 2593 O THR B 49 4.515 -3.001 -8.775 1.00 24.21 O ATOM 2594 CB THR B 49 1.637 -2.817 -10.589 1.00 2.32 C ATOM 2595 OG1 THR B 49 2.454 -3.445 -11.596 1.00 21.21 O ATOM 2596 CG2 THR B 49 0.599 -1.908 -11.239 1.00 64.32 C ATOM 0 H THR B 49 4.221 -1.642 -10.672 1.00 72.43 H new ATOM 0 HA THR B 49 1.843 -1.477 -8.963 1.00 74.12 H new ATOM 0 HB THR B 49 1.096 -3.584 -10.035 1.00 2.32 H new ATOM 0 HG1 THR B 49 1.881 -3.925 -12.229 1.00 21.21 H new ATOM 0 HG21 THR B 49 -0.001 -2.486 -11.942 1.00 64.32 H new ATOM 0 HG22 THR B 49 -0.048 -1.487 -10.470 1.00 64.32 H new ATOM 0 HG23 THR B 49 1.104 -1.101 -11.770 1.00 64.32 H new ATOM 2604 N ALA B 50 2.619 -3.922 -8.019 1.00 11.41 N ATOM 2605 CA ALA B 50 3.262 -4.788 -7.041 1.00 40.40 C ATOM 2606 C ALA B 50 4.396 -5.653 -7.633 1.00 14.30 C ATOM 2607 O ALA B 50 5.475 -5.716 -7.073 1.00 61.31 O ATOM 2608 CB ALA B 50 2.210 -5.634 -6.341 1.00 54.00 C ATOM 0 H ALA B 50 1.612 -4.063 -8.101 1.00 11.41 H new ATOM 0 HA ALA B 50 3.753 -4.146 -6.309 1.00 40.40 H new ATOM 0 HB1 ALA B 50 2.692 -6.282 -5.609 1.00 54.00 H new ATOM 0 HB2 ALA B 50 1.497 -4.983 -5.835 1.00 54.00 H new ATOM 0 HB3 ALA B 50 1.686 -6.244 -7.076 1.00 54.00 H new ATOM 2614 N GLN B 51 4.136 -6.289 -8.785 1.00 63.42 N ATOM 2615 CA GLN B 51 5.148 -7.136 -9.470 1.00 23.53 C ATOM 2616 C GLN B 51 6.420 -6.341 -9.791 1.00 71.51 C ATOM 2617 O GLN B 51 7.534 -6.748 -9.438 1.00 31.35 O ATOM 2618 CB GLN B 51 4.578 -7.680 -10.783 1.00 41.33 C ATOM 2619 CG GLN B 51 3.256 -8.405 -10.657 1.00 14.13 C ATOM 2620 CD GLN B 51 2.742 -8.888 -11.998 1.00 65.33 C ATOM 2621 OE1 GLN B 51 3.516 -9.258 -12.877 1.00 61.43 O ATOM 2622 NE2 GLN B 51 1.458 -8.805 -12.197 1.00 31.43 N ATOM 0 H GLN B 51 3.239 -6.239 -9.268 1.00 63.42 H new ATOM 0 HA GLN B 51 5.398 -7.954 -8.794 1.00 23.53 H new ATOM 0 HB2 GLN B 51 4.455 -6.850 -11.479 1.00 41.33 H new ATOM 0 HB3 GLN B 51 5.307 -8.360 -11.224 1.00 41.33 H new ATOM 0 HG2 GLN B 51 3.372 -9.256 -9.986 1.00 14.13 H new ATOM 0 HG3 GLN B 51 2.520 -7.740 -10.205 1.00 14.13 H new ATOM 0 HE21 GLN B 51 0.844 -8.494 -11.444 1.00 31.43 H new ATOM 0 HE22 GLN B 51 1.066 -9.051 -13.106 1.00 31.43 H new ATOM 2631 N ASP B 52 6.234 -5.212 -10.441 1.00 25.40 N ATOM 2632 CA ASP B 52 7.337 -4.331 -10.854 1.00 40.22 C ATOM 2633 C ASP B 52 8.058 -3.759 -9.636 1.00 32.01 C ATOM 2634 O ASP B 52 9.305 -3.683 -9.589 1.00 41.23 O ATOM 2635 CB ASP B 52 6.774 -3.198 -11.730 1.00 51.55 C ATOM 2636 CG ASP B 52 7.807 -2.180 -12.176 1.00 54.02 C ATOM 2637 OD1 ASP B 52 8.608 -2.483 -13.097 1.00 23.13 O ATOM 2638 OD2 ASP B 52 7.788 -1.036 -11.664 1.00 14.30 O ATOM 0 H ASP B 52 5.312 -4.866 -10.706 1.00 25.40 H new ATOM 0 HA ASP B 52 8.062 -4.908 -11.428 1.00 40.22 H new ATOM 0 HB2 ASP B 52 6.307 -3.635 -12.613 1.00 51.55 H new ATOM 0 HB3 ASP B 52 5.989 -2.683 -11.177 1.00 51.55 H new ATOM 2643 N LEU B 53 7.276 -3.409 -8.648 1.00 12.11 N ATOM 2644 CA LEU B 53 7.759 -2.799 -7.439 1.00 32.42 C ATOM 2645 C LEU B 53 8.612 -3.829 -6.656 1.00 60.44 C ATOM 2646 O LEU B 53 9.745 -3.515 -6.216 1.00 13.01 O ATOM 2647 CB LEU B 53 6.537 -2.369 -6.620 1.00 5.34 C ATOM 2648 CG LEU B 53 6.618 -1.092 -5.784 1.00 23.31 C ATOM 2649 CD1 LEU B 53 5.313 -0.860 -5.052 1.00 24.24 C ATOM 2650 CD2 LEU B 53 7.786 -1.122 -4.824 1.00 43.44 C ATOM 0 H LEU B 53 6.265 -3.543 -8.663 1.00 12.11 H new ATOM 0 HA LEU B 53 8.384 -1.932 -7.652 1.00 32.42 H new ATOM 0 HB2 LEU B 53 5.701 -2.258 -7.310 1.00 5.34 H new ATOM 0 HB3 LEU B 53 6.288 -3.188 -5.946 1.00 5.34 H new ATOM 0 HG LEU B 53 6.787 -0.257 -6.464 1.00 23.31 H new ATOM 0 HD11 LEU B 53 5.385 0.053 -4.461 1.00 24.24 H new ATOM 0 HD12 LEU B 53 4.503 -0.761 -5.775 1.00 24.24 H new ATOM 0 HD13 LEU B 53 5.110 -1.704 -4.393 1.00 24.24 H new ATOM 0 HD21 LEU B 53 7.808 -0.196 -4.249 1.00 43.44 H new ATOM 0 HD22 LEU B 53 7.678 -1.968 -4.146 1.00 43.44 H new ATOM 0 HD23 LEU B 53 8.715 -1.223 -5.385 1.00 43.44 H new ATOM 2662 N GLU B 54 8.088 -5.077 -6.506 1.00 73.24 N ATOM 2663 CA GLU B 54 8.849 -6.129 -5.838 1.00 1.05 C ATOM 2664 C GLU B 54 10.146 -6.396 -6.520 1.00 61.34 C ATOM 2665 O GLU B 54 11.130 -6.523 -5.867 1.00 64.31 O ATOM 2666 CB GLU B 54 8.109 -7.468 -5.706 1.00 32.54 C ATOM 2667 CG GLU B 54 6.915 -7.511 -4.777 1.00 54.24 C ATOM 2668 CD GLU B 54 6.517 -8.950 -4.497 1.00 12.54 C ATOM 2669 OE1 GLU B 54 5.833 -9.580 -5.339 1.00 40.31 O ATOM 2670 OE2 GLU B 54 6.939 -9.494 -3.474 1.00 1.13 O ATOM 0 H GLU B 54 7.164 -5.358 -6.835 1.00 73.24 H new ATOM 0 HA GLU B 54 9.009 -5.730 -4.836 1.00 1.05 H new ATOM 0 HB2 GLU B 54 7.775 -7.768 -6.699 1.00 32.54 H new ATOM 0 HB3 GLU B 54 8.825 -8.218 -5.370 1.00 32.54 H new ATOM 0 HG2 GLU B 54 7.154 -7.004 -3.842 1.00 54.24 H new ATOM 0 HG3 GLU B 54 6.078 -6.975 -5.225 1.00 54.24 H new ATOM 2677 N ALA B 55 10.143 -6.443 -7.840 1.00 2.22 N ATOM 2678 CA ALA B 55 11.363 -6.756 -8.610 1.00 30.42 C ATOM 2679 C ALA B 55 12.511 -5.817 -8.219 1.00 21.20 C ATOM 2680 O ALA B 55 13.663 -6.278 -7.967 1.00 23.22 O ATOM 2681 CB ALA B 55 11.069 -6.638 -10.096 1.00 10.21 C ATOM 0 H ALA B 55 9.317 -6.271 -8.413 1.00 2.22 H new ATOM 0 HA ALA B 55 11.670 -7.777 -8.382 1.00 30.42 H new ATOM 0 HB1 ALA B 55 11.970 -6.869 -10.665 1.00 10.21 H new ATOM 0 HB2 ALA B 55 10.279 -7.338 -10.367 1.00 10.21 H new ATOM 0 HB3 ALA B 55 10.747 -5.622 -10.324 1.00 10.21 H new ATOM 2687 N HIS B 56 12.211 -4.540 -8.085 1.00 2.25 N ATOM 2688 CA HIS B 56 13.243 -3.584 -7.726 1.00 71.32 C ATOM 2689 C HIS B 56 13.775 -3.870 -6.310 1.00 54.22 C ATOM 2690 O HIS B 56 14.975 -3.821 -6.075 1.00 11.43 O ATOM 2691 CB HIS B 56 12.746 -2.134 -7.848 1.00 2.21 C ATOM 2692 CG HIS B 56 13.837 -1.099 -7.680 1.00 15.35 C ATOM 2693 ND1 HIS B 56 14.574 -0.614 -8.733 1.00 64.43 N ATOM 2694 CD2 HIS B 56 14.314 -0.464 -6.577 1.00 15.54 C ATOM 2695 CE1 HIS B 56 15.446 0.263 -8.301 1.00 25.34 C ATOM 2696 NE2 HIS B 56 15.313 0.380 -6.997 1.00 63.22 N ATOM 0 H HIS B 56 11.280 -4.144 -8.216 1.00 2.25 H new ATOM 0 HA HIS B 56 14.064 -3.702 -8.433 1.00 71.32 H new ATOM 0 HB2 HIS B 56 12.279 -2.001 -8.824 1.00 2.21 H new ATOM 0 HB3 HIS B 56 11.974 -1.960 -7.098 1.00 2.21 H new ATOM 0 HD2 HIS B 56 13.972 -0.598 -5.561 1.00 15.54 H new ATOM 0 HE1 HIS B 56 16.156 0.800 -8.913 1.00 25.34 H new ATOM 0 HE2 HIS B 56 15.861 0.996 -6.397 1.00 63.22 H new ATOM 2705 N PHE B 57 12.887 -4.190 -5.383 1.00 31.42 N ATOM 2706 CA PHE B 57 13.290 -4.461 -3.997 1.00 72.20 C ATOM 2707 C PHE B 57 13.795 -5.873 -3.769 1.00 55.42 C ATOM 2708 O PHE B 57 14.568 -6.125 -2.857 1.00 62.31 O ATOM 2709 CB PHE B 57 12.202 -4.095 -3.021 1.00 24.31 C ATOM 2710 CG PHE B 57 12.087 -2.631 -2.856 1.00 41.12 C ATOM 2711 CD1 PHE B 57 12.913 -1.983 -1.980 1.00 4.45 C ATOM 2712 CD2 PHE B 57 11.184 -1.903 -3.580 1.00 4.40 C ATOM 2713 CE1 PHE B 57 12.837 -0.626 -1.819 1.00 43.41 C ATOM 2714 CE2 PHE B 57 11.103 -0.546 -3.428 1.00 14.41 C ATOM 2715 CZ PHE B 57 11.927 0.087 -2.548 1.00 13.43 C ATOM 0 H PHE B 57 11.885 -4.270 -5.556 1.00 31.42 H new ATOM 0 HA PHE B 57 14.145 -3.812 -3.809 1.00 72.20 H new ATOM 0 HB2 PHE B 57 11.251 -4.498 -3.368 1.00 24.31 H new ATOM 0 HB3 PHE B 57 12.410 -4.555 -2.055 1.00 24.31 H new ATOM 0 HD1 PHE B 57 13.634 -2.549 -1.408 1.00 4.45 H new ATOM 0 HD2 PHE B 57 10.529 -2.404 -4.278 1.00 4.40 H new ATOM 0 HE1 PHE B 57 13.491 -0.123 -1.122 1.00 43.41 H new ATOM 0 HE2 PHE B 57 10.388 0.022 -4.004 1.00 14.41 H new ATOM 0 HZ PHE B 57 11.861 1.158 -2.425 1.00 13.43 H new ATOM 2725 N SER B 58 13.381 -6.765 -4.622 1.00 55.13 N ATOM 2726 CA SER B 58 13.711 -8.174 -4.535 1.00 63.41 C ATOM 2727 C SER B 58 15.166 -8.358 -4.881 1.00 65.52 C ATOM 2728 O SER B 58 15.811 -9.346 -4.485 1.00 33.24 O ATOM 2729 CB SER B 58 12.819 -8.996 -5.483 1.00 74.03 C ATOM 2730 OG SER B 58 13.066 -10.390 -5.373 1.00 44.31 O ATOM 0 H SER B 58 12.789 -6.535 -5.420 1.00 55.13 H new ATOM 0 HA SER B 58 13.533 -8.528 -3.520 1.00 63.41 H new ATOM 0 HB2 SER B 58 11.771 -8.795 -5.260 1.00 74.03 H new ATOM 0 HB3 SER B 58 12.993 -8.677 -6.511 1.00 74.03 H new ATOM 0 HG SER B 58 12.479 -10.876 -5.989 1.00 44.31 H new ATOM 2736 N SER B 59 15.696 -7.413 -5.634 1.00 73.30 N ATOM 2737 CA SER B 59 17.084 -7.423 -5.969 1.00 35.31 C ATOM 2738 C SER B 59 17.935 -7.177 -4.698 1.00 73.00 C ATOM 2739 O SER B 59 19.098 -7.600 -4.619 1.00 73.50 O ATOM 2740 CB SER B 59 17.341 -6.350 -7.034 1.00 73.31 C ATOM 2741 OG SER B 59 16.504 -6.580 -8.183 1.00 30.23 O ATOM 0 H SER B 59 15.172 -6.629 -6.022 1.00 73.30 H new ATOM 0 HA SER B 59 17.370 -8.394 -6.373 1.00 35.31 H new ATOM 0 HB2 SER B 59 17.140 -5.362 -6.621 1.00 73.31 H new ATOM 0 HB3 SER B 59 18.390 -6.365 -7.330 1.00 73.31 H new ATOM 0 HG SER B 59 15.571 -6.390 -7.951 1.00 30.23 H new ATOM 2747 N CYS B 60 17.334 -6.520 -3.705 1.00 43.12 N ATOM 2748 CA CYS B 60 18.005 -6.198 -2.458 1.00 51.12 C ATOM 2749 C CYS B 60 17.519 -7.077 -1.277 1.00 54.42 C ATOM 2750 O CYS B 60 17.825 -6.774 -0.121 1.00 14.51 O ATOM 2751 CB CYS B 60 17.763 -4.719 -2.135 1.00 3.41 C ATOM 2752 SG CYS B 60 18.288 -3.586 -3.448 1.00 42.21 S ATOM 0 H CYS B 60 16.367 -6.198 -3.749 1.00 43.12 H new ATOM 0 HA CYS B 60 19.069 -6.399 -2.588 1.00 51.12 H new ATOM 0 HB2 CYS B 60 16.701 -4.568 -1.942 1.00 3.41 H new ATOM 0 HB3 CYS B 60 18.293 -4.466 -1.217 1.00 3.41 H new ATOM 0 HG CYS B 60 18.242 -2.363 -3.010 1.00 42.21 H new ATOM 2758 N GLY B 61 16.811 -8.171 -1.561 1.00 2.22 N ATOM 2759 CA GLY B 61 16.347 -9.017 -0.465 1.00 75.34 C ATOM 2760 C GLY B 61 15.068 -9.778 -0.737 1.00 10.21 C ATOM 2761 O GLY B 61 14.536 -9.739 -1.843 1.00 14.42 O ATOM 0 H GLY B 61 16.556 -8.482 -2.498 1.00 2.22 H new ATOM 0 HA2 GLY B 61 17.132 -9.733 -0.222 1.00 75.34 H new ATOM 0 HA3 GLY B 61 16.200 -8.394 0.417 1.00 75.34 H new ATOM 2765 N SER B 62 14.568 -10.476 0.285 1.00 1.23 N ATOM 2766 CA SER B 62 13.387 -11.307 0.161 1.00 60.40 C ATOM 2767 C SER B 62 12.175 -10.641 0.827 1.00 3.34 C ATOM 2768 O SER B 62 12.175 -10.360 2.028 1.00 22.34 O ATOM 2769 CB SER B 62 13.663 -12.676 0.777 1.00 71.04 C ATOM 2770 OG SER B 62 14.786 -13.289 0.139 1.00 4.45 O ATOM 0 H SER B 62 14.977 -10.475 1.219 1.00 1.23 H new ATOM 0 HA SER B 62 13.151 -11.433 -0.896 1.00 60.40 H new ATOM 0 HB2 SER B 62 13.856 -12.570 1.845 1.00 71.04 H new ATOM 0 HB3 SER B 62 12.785 -13.313 0.673 1.00 71.04 H new ATOM 0 HG SER B 62 14.954 -14.165 0.544 1.00 4.45 H new ATOM 2776 N ILE B 63 11.164 -10.396 0.041 1.00 3.41 N ATOM 2777 CA ILE B 63 9.970 -9.714 0.492 1.00 1.25 C ATOM 2778 C ILE B 63 8.973 -10.663 1.183 1.00 34.14 C ATOM 2779 O ILE B 63 8.668 -11.740 0.675 1.00 34.23 O ATOM 2780 CB ILE B 63 9.297 -8.997 -0.693 1.00 22.21 C ATOM 2781 CG1 ILE B 63 10.273 -7.963 -1.279 1.00 21.02 C ATOM 2782 CG2 ILE B 63 7.995 -8.343 -0.264 1.00 54.30 C ATOM 2783 CD1 ILE B 63 9.747 -7.205 -2.468 1.00 71.51 C ATOM 0 H ILE B 63 11.140 -10.665 -0.943 1.00 3.41 H new ATOM 0 HA ILE B 63 10.276 -8.981 1.238 1.00 1.25 H new ATOM 0 HB ILE B 63 9.051 -9.728 -1.463 1.00 22.21 H new ATOM 0 HG12 ILE B 63 10.537 -7.250 -0.498 1.00 21.02 H new ATOM 0 HG13 ILE B 63 11.192 -8.474 -1.568 1.00 21.02 H new ATOM 0 HG21 ILE B 63 7.540 -7.843 -1.119 1.00 54.30 H new ATOM 0 HG22 ILE B 63 7.314 -9.104 0.117 1.00 54.30 H new ATOM 0 HG23 ILE B 63 8.196 -7.612 0.519 1.00 54.30 H new ATOM 0 HD11 ILE B 63 10.503 -6.499 -2.813 1.00 71.51 H new ATOM 0 HD12 ILE B 63 9.511 -7.904 -3.270 1.00 71.51 H new ATOM 0 HD13 ILE B 63 8.846 -6.661 -2.183 1.00 71.51 H new ATOM 2795 N ASN B 64 8.503 -10.249 2.348 1.00 51.10 N ATOM 2796 CA ASN B 64 7.530 -11.021 3.122 1.00 70.52 C ATOM 2797 C ASN B 64 6.118 -10.470 2.909 1.00 3.31 C ATOM 2798 O ASN B 64 5.183 -11.215 2.735 1.00 24.31 O ATOM 2799 CB ASN B 64 7.914 -11.022 4.624 1.00 23.34 C ATOM 2800 CG ASN B 64 7.042 -11.907 5.507 1.00 61.11 C ATOM 2801 OD1 ASN B 64 5.850 -12.061 5.312 1.00 22.42 O ATOM 2802 ND2 ASN B 64 7.662 -12.538 6.455 1.00 31.43 N ATOM 0 H ASN B 64 8.781 -9.372 2.788 1.00 51.10 H new ATOM 0 HA ASN B 64 7.542 -12.053 2.772 1.00 70.52 H new ATOM 0 HB2 ASN B 64 8.950 -11.347 4.719 1.00 23.34 H new ATOM 0 HB3 ASN B 64 7.865 -9.999 4.998 1.00 23.34 H new ATOM 0 HD21 ASN B 64 7.150 -13.182 7.059 1.00 31.43 H new ATOM 0 HD22 ASN B 64 8.661 -12.391 6.597 1.00 31.43 H new ATOM 2809 N ARG B 65 5.976 -9.175 2.902 1.00 54.34 N ATOM 2810 CA ARG B 65 4.661 -8.552 2.714 1.00 65.31 C ATOM 2811 C ARG B 65 4.862 -7.211 2.073 1.00 44.20 C ATOM 2812 O ARG B 65 5.954 -6.661 2.137 1.00 41.44 O ATOM 2813 CB ARG B 65 3.902 -8.333 4.051 1.00 10.45 C ATOM 2814 CG ARG B 65 3.709 -9.544 4.945 1.00 4.34 C ATOM 2815 CD ARG B 65 2.946 -9.157 6.187 1.00 71.42 C ATOM 2816 NE ARG B 65 1.531 -8.877 5.951 1.00 53.32 N ATOM 2817 CZ ARG B 65 0.861 -7.883 6.540 1.00 4.25 C ATOM 2818 NH1 ARG B 65 1.514 -6.832 7.026 1.00 53.30 N ATOM 2819 NH2 ARG B 65 -0.471 -7.899 6.557 1.00 50.14 N ATOM 0 H ARG B 65 6.744 -8.515 3.023 1.00 54.34 H new ATOM 0 HA ARG B 65 4.065 -9.224 2.096 1.00 65.31 H new ATOM 0 HB2 ARG B 65 4.436 -7.573 4.622 1.00 10.45 H new ATOM 0 HB3 ARG B 65 2.919 -7.925 3.818 1.00 10.45 H new ATOM 0 HG2 ARG B 65 3.169 -10.322 4.405 1.00 4.34 H new ATOM 0 HG3 ARG B 65 4.678 -9.961 5.220 1.00 4.34 H new ATOM 0 HD2 ARG B 65 3.030 -9.961 6.918 1.00 71.42 H new ATOM 0 HD3 ARG B 65 3.412 -8.276 6.628 1.00 71.42 H new ATOM 0 HE ARG B 65 1.026 -9.476 5.298 1.00 53.32 H new ATOM 0 HH11 ARG B 65 2.530 -6.783 6.950 1.00 53.30 H new ATOM 0 HH12 ARG B 65 0.999 -6.075 7.475 1.00 53.30 H new ATOM 0 HH21 ARG B 65 -0.977 -8.669 6.121 1.00 50.14 H new ATOM 0 HH22 ARG B 65 -0.984 -7.141 7.006 1.00 50.14 H new ATOM 2833 N ILE B 66 3.832 -6.672 1.469 1.00 21.33 N ATOM 2834 CA ILE B 66 3.903 -5.346 0.883 1.00 50.12 C ATOM 2835 C ILE B 66 2.542 -4.720 0.993 1.00 2.01 C ATOM 2836 O ILE B 66 1.527 -5.406 0.896 1.00 13.14 O ATOM 2837 CB ILE B 66 4.374 -5.293 -0.629 1.00 43.00 C ATOM 2838 CG1 ILE B 66 3.382 -5.966 -1.557 1.00 10.35 C ATOM 2839 CG2 ILE B 66 5.766 -5.837 -0.830 1.00 10.42 C ATOM 2840 CD1 ILE B 66 3.816 -6.035 -3.002 1.00 12.24 C ATOM 0 H ILE B 66 2.927 -7.130 1.367 1.00 21.33 H new ATOM 0 HA ILE B 66 4.669 -4.806 1.439 1.00 50.12 H new ATOM 0 HB ILE B 66 4.410 -4.236 -0.892 1.00 43.00 H new ATOM 0 HG12 ILE B 66 3.199 -6.979 -1.198 1.00 10.35 H new ATOM 0 HG13 ILE B 66 2.433 -5.432 -1.502 1.00 10.35 H new ATOM 0 HG21 ILE B 66 6.032 -5.774 -1.885 1.00 10.42 H new ATOM 0 HG22 ILE B 66 6.473 -5.253 -0.242 1.00 10.42 H new ATOM 0 HG23 ILE B 66 5.800 -6.878 -0.509 1.00 10.42 H new ATOM 0 HD11 ILE B 66 3.045 -6.532 -3.590 1.00 12.24 H new ATOM 0 HD12 ILE B 66 3.970 -5.026 -3.384 1.00 12.24 H new ATOM 0 HD13 ILE B 66 4.747 -6.597 -3.076 1.00 12.24 H new ATOM 2852 N THR B 67 2.511 -3.482 1.267 1.00 21.42 N ATOM 2853 CA THR B 67 1.287 -2.758 1.339 1.00 4.02 C ATOM 2854 C THR B 67 1.413 -1.537 0.449 1.00 51.42 C ATOM 2855 O THR B 67 2.341 -0.789 0.599 1.00 74.33 O ATOM 2856 CB THR B 67 0.965 -2.376 2.793 1.00 72.33 C ATOM 2857 OG1 THR B 67 0.968 -3.571 3.594 1.00 43.42 O ATOM 2858 CG2 THR B 67 -0.398 -1.708 2.896 1.00 74.43 C ATOM 0 H THR B 67 3.342 -2.921 1.453 1.00 21.42 H new ATOM 0 HA THR B 67 0.458 -3.374 0.991 1.00 4.02 H new ATOM 0 HB THR B 67 1.718 -1.672 3.146 1.00 72.33 H new ATOM 0 HG1 THR B 67 0.765 -3.341 4.525 1.00 43.42 H new ATOM 0 HG21 THR B 67 -0.599 -1.449 3.936 1.00 74.43 H new ATOM 0 HG22 THR B 67 -0.407 -0.803 2.288 1.00 74.43 H new ATOM 0 HG23 THR B 67 -1.167 -2.393 2.538 1.00 74.43 H new ATOM 2866 N ILE B 68 0.506 -1.338 -0.457 1.00 24.34 N ATOM 2867 CA ILE B 68 0.616 -0.235 -1.376 1.00 51.21 C ATOM 2868 C ILE B 68 -0.627 0.596 -1.200 1.00 24.05 C ATOM 2869 O ILE B 68 -1.712 0.058 -1.199 1.00 51.11 O ATOM 2870 CB ILE B 68 0.676 -0.674 -2.898 1.00 64.14 C ATOM 2871 CG1 ILE B 68 1.601 -1.893 -3.159 1.00 41.01 C ATOM 2872 CG2 ILE B 68 1.092 0.496 -3.785 1.00 5.40 C ATOM 2873 CD1 ILE B 68 0.933 -3.227 -2.878 1.00 54.11 C ATOM 0 H ILE B 68 -0.321 -1.922 -0.584 1.00 24.34 H new ATOM 0 HA ILE B 68 1.544 0.292 -1.156 1.00 51.21 H new ATOM 0 HB ILE B 68 -0.336 -0.989 -3.155 1.00 64.14 H new ATOM 0 HG12 ILE B 68 1.933 -1.873 -4.197 1.00 41.01 H new ATOM 0 HG13 ILE B 68 2.492 -1.803 -2.538 1.00 41.01 H new ATOM 0 HG21 ILE B 68 1.126 0.170 -4.825 1.00 5.40 H new ATOM 0 HG22 ILE B 68 0.370 1.306 -3.682 1.00 5.40 H new ATOM 0 HG23 ILE B 68 2.078 0.849 -3.483 1.00 5.40 H new ATOM 0 HD11 ILE B 68 1.635 -4.036 -3.081 1.00 54.11 H new ATOM 0 HD12 ILE B 68 0.626 -3.267 -1.833 1.00 54.11 H new ATOM 0 HD13 ILE B 68 0.058 -3.338 -3.518 1.00 54.11 H new ATOM 2885 N LEU B 69 -0.491 1.855 -0.978 1.00 31.12 N ATOM 2886 CA LEU B 69 -1.649 2.696 -0.915 1.00 44.45 C ATOM 2887 C LEU B 69 -1.570 3.779 -1.952 1.00 13.45 C ATOM 2888 O LEU B 69 -0.534 4.434 -2.097 1.00 43.30 O ATOM 2889 CB LEU B 69 -1.992 3.258 0.490 1.00 34.31 C ATOM 2890 CG LEU B 69 -0.984 4.176 1.187 1.00 63.53 C ATOM 2891 CD1 LEU B 69 -1.669 4.855 2.370 1.00 3.21 C ATOM 2892 CD2 LEU B 69 0.201 3.361 1.708 1.00 74.44 C ATOM 0 H LEU B 69 0.401 2.330 -0.837 1.00 31.12 H new ATOM 0 HA LEU B 69 -2.492 2.042 -1.140 1.00 44.45 H new ATOM 0 HB2 LEU B 69 -2.932 3.804 0.406 1.00 34.31 H new ATOM 0 HB3 LEU B 69 -2.175 2.409 1.149 1.00 34.31 H new ATOM 0 HG LEU B 69 -0.625 4.918 0.474 1.00 63.53 H new ATOM 0 HD11 LEU B 69 -0.959 5.511 2.874 1.00 3.21 H new ATOM 0 HD12 LEU B 69 -2.515 5.442 2.013 1.00 3.21 H new ATOM 0 HD13 LEU B 69 -2.022 4.098 3.070 1.00 3.21 H new ATOM 0 HD21 LEU B 69 0.911 4.025 2.201 1.00 74.44 H new ATOM 0 HD22 LEU B 69 -0.155 2.616 2.420 1.00 74.44 H new ATOM 0 HD23 LEU B 69 0.693 2.860 0.874 1.00 74.44 H new ATOM 2904 N CYS B 70 -2.625 3.959 -2.676 1.00 42.20 N ATOM 2905 CA CYS B 70 -2.671 4.963 -3.691 1.00 73.11 C ATOM 2906 C CYS B 70 -3.730 5.988 -3.336 1.00 35.31 C ATOM 2907 O CYS B 70 -4.872 5.612 -3.024 1.00 25.12 O ATOM 2908 CB CYS B 70 -2.986 4.311 -5.048 1.00 73.31 C ATOM 2909 SG CYS B 70 -1.813 3.020 -5.526 1.00 1.55 S ATOM 0 H CYS B 70 -3.482 3.414 -2.582 1.00 42.20 H new ATOM 0 HA CYS B 70 -1.705 5.463 -3.760 1.00 73.11 H new ATOM 0 HB2 CYS B 70 -3.988 3.883 -5.011 1.00 73.31 H new ATOM 0 HB3 CYS B 70 -2.997 5.083 -5.818 1.00 73.31 H new ATOM 0 HG CYS B 70 -2.157 2.526 -6.678 1.00 1.55 H new ATOM 2915 N ASP B 71 -3.376 7.273 -3.324 1.00 54.42 N ATOM 2916 CA ASP B 71 -4.379 8.277 -3.035 1.00 61.15 C ATOM 2917 C ASP B 71 -4.707 8.995 -4.280 1.00 34.20 C ATOM 2918 O ASP B 71 -3.815 9.364 -5.037 1.00 14.31 O ATOM 2919 CB ASP B 71 -3.982 9.272 -1.912 1.00 1.32 C ATOM 2920 CG ASP B 71 -2.879 10.293 -2.246 1.00 52.51 C ATOM 2921 OD1 ASP B 71 -1.680 9.970 -2.087 1.00 14.23 O ATOM 2922 OD2 ASP B 71 -3.203 11.463 -2.606 1.00 63.14 O ATOM 0 H ASP B 71 -2.437 7.627 -3.505 1.00 54.42 H new ATOM 0 HA ASP B 71 -5.253 7.753 -2.649 1.00 61.15 H new ATOM 0 HB2 ASP B 71 -4.875 9.822 -1.614 1.00 1.32 H new ATOM 0 HB3 ASP B 71 -3.659 8.695 -1.045 1.00 1.32 H new ATOM 2927 N LYS B 72 -5.970 9.132 -4.549 1.00 22.03 N ATOM 2928 CA LYS B 72 -6.390 9.812 -5.723 1.00 13.11 C ATOM 2929 C LYS B 72 -7.354 10.943 -5.333 1.00 53.03 C ATOM 2930 O LYS B 72 -7.938 11.603 -6.188 1.00 64.15 O ATOM 2931 CB LYS B 72 -7.059 8.796 -6.669 1.00 61.30 C ATOM 2932 CG LYS B 72 -7.372 9.309 -8.070 1.00 74.34 C ATOM 2933 CD LYS B 72 -8.144 8.276 -8.882 1.00 5.34 C ATOM 2934 CE LYS B 72 -7.301 7.054 -9.175 1.00 34.21 C ATOM 2935 NZ LYS B 72 -8.058 6.003 -9.866 1.00 60.11 N ATOM 0 H LYS B 72 -6.727 8.778 -3.964 1.00 22.03 H new ATOM 0 HA LYS B 72 -5.541 10.258 -6.241 1.00 13.11 H new ATOM 0 HB2 LYS B 72 -6.409 7.925 -6.757 1.00 61.30 H new ATOM 0 HB3 LYS B 72 -7.987 8.456 -6.210 1.00 61.30 H new ATOM 0 HG2 LYS B 72 -7.954 10.228 -8.001 1.00 74.34 H new ATOM 0 HG3 LYS B 72 -6.443 9.558 -8.584 1.00 74.34 H new ATOM 0 HD2 LYS B 72 -9.039 7.979 -8.336 1.00 5.34 H new ATOM 0 HD3 LYS B 72 -8.476 8.723 -9.819 1.00 5.34 H new ATOM 0 HE2 LYS B 72 -6.446 7.344 -9.786 1.00 34.21 H new ATOM 0 HE3 LYS B 72 -6.904 6.657 -8.240 1.00 34.21 H new ATOM 0 HZ1 LYS B 72 -7.400 5.289 -10.238 1.00 60.11 H new ATOM 0 HZ2 LYS B 72 -8.716 5.553 -9.198 1.00 60.11 H new ATOM 0 HZ3 LYS B 72 -8.595 6.422 -10.652 1.00 60.11 H new ATOM 2949 N PHE B 73 -7.504 11.191 -4.016 1.00 44.11 N ATOM 2950 CA PHE B 73 -8.394 12.275 -3.556 1.00 5.41 C ATOM 2951 C PHE B 73 -7.804 13.619 -3.906 1.00 52.14 C ATOM 2952 O PHE B 73 -8.497 14.643 -3.921 1.00 63.23 O ATOM 2953 CB PHE B 73 -8.687 12.210 -2.043 1.00 42.43 C ATOM 2954 CG PHE B 73 -7.514 12.446 -1.126 1.00 22.41 C ATOM 2955 CD1 PHE B 73 -6.728 11.401 -0.705 1.00 5.24 C ATOM 2956 CD2 PHE B 73 -7.215 13.727 -0.673 1.00 54.24 C ATOM 2957 CE1 PHE B 73 -5.660 11.618 0.144 1.00 30.12 C ATOM 2958 CE2 PHE B 73 -6.151 13.951 0.175 1.00 72.10 C ATOM 2959 CZ PHE B 73 -5.371 12.893 0.584 1.00 23.02 C ATOM 0 H PHE B 73 -7.036 10.673 -3.272 1.00 44.11 H new ATOM 0 HA PHE B 73 -9.344 12.140 -4.073 1.00 5.41 H new ATOM 0 HB2 PHE B 73 -9.456 12.947 -1.811 1.00 42.43 H new ATOM 0 HB3 PHE B 73 -9.106 11.229 -1.817 1.00 42.43 H new ATOM 0 HD1 PHE B 73 -6.947 10.399 -1.042 1.00 5.24 H new ATOM 0 HD2 PHE B 73 -7.826 14.559 -0.991 1.00 54.24 H new ATOM 0 HE1 PHE B 73 -5.049 10.787 0.464 1.00 30.12 H new ATOM 0 HE2 PHE B 73 -5.931 14.952 0.517 1.00 72.10 H new ATOM 0 HZ PHE B 73 -4.535 13.061 1.247 1.00 23.02 H new ATOM 2969 N SER B 74 -6.526 13.604 -4.176 1.00 64.11 N ATOM 2970 CA SER B 74 -5.797 14.753 -4.576 1.00 71.55 C ATOM 2971 C SER B 74 -5.942 14.965 -6.092 1.00 52.12 C ATOM 2972 O SER B 74 -5.357 15.879 -6.667 1.00 1.23 O ATOM 2973 CB SER B 74 -4.342 14.535 -4.171 1.00 32.32 C ATOM 2974 OG SER B 74 -3.887 13.267 -4.638 1.00 43.12 O ATOM 0 H SER B 74 -5.956 12.760 -4.118 1.00 64.11 H new ATOM 0 HA SER B 74 -6.178 15.652 -4.092 1.00 71.55 H new ATOM 0 HB2 SER B 74 -3.719 15.328 -4.584 1.00 32.32 H new ATOM 0 HB3 SER B 74 -4.247 14.587 -3.086 1.00 32.32 H new ATOM 0 HG SER B 74 -3.667 12.696 -3.872 1.00 43.12 H new ATOM 2980 N GLY B 75 -6.725 14.098 -6.728 1.00 14.13 N ATOM 2981 CA GLY B 75 -6.958 14.173 -8.146 1.00 60.42 C ATOM 2982 C GLY B 75 -5.989 13.300 -8.891 1.00 33.14 C ATOM 2983 O GLY B 75 -6.362 12.556 -9.805 1.00 21.04 O ATOM 0 H GLY B 75 -7.210 13.329 -6.265 1.00 14.13 H new ATOM 0 HA2 GLY B 75 -7.979 13.863 -8.368 1.00 60.42 H new ATOM 0 HA3 GLY B 75 -6.858 15.205 -8.482 1.00 60.42 H new ATOM 2987 N HIS B 76 -4.758 13.374 -8.484 1.00 14.22 N ATOM 2988 CA HIS B 76 -3.697 12.628 -9.099 1.00 0.32 C ATOM 2989 C HIS B 76 -3.492 11.381 -8.312 1.00 44.41 C ATOM 2990 O HIS B 76 -3.334 11.443 -7.105 1.00 60.12 O ATOM 2991 CB HIS B 76 -2.396 13.433 -9.118 1.00 23.42 C ATOM 2992 CG HIS B 76 -2.534 14.780 -9.738 1.00 24.32 C ATOM 2993 ND1 HIS B 76 -2.439 15.953 -9.023 1.00 11.34 N ATOM 2994 CD2 HIS B 76 -2.762 15.141 -11.011 1.00 70.21 C ATOM 2995 CE1 HIS B 76 -2.605 16.972 -9.835 1.00 63.33 C ATOM 2996 NE2 HIS B 76 -2.802 16.509 -11.046 1.00 62.43 N ATOM 0 H HIS B 76 -4.456 13.961 -7.706 1.00 14.22 H new ATOM 0 HA HIS B 76 -3.969 12.401 -10.130 1.00 0.32 H new ATOM 0 HB2 HIS B 76 -2.036 13.549 -8.096 1.00 23.42 H new ATOM 0 HB3 HIS B 76 -1.638 12.869 -9.661 1.00 23.42 H new ATOM 0 HD2 HIS B 76 -2.890 14.475 -11.852 1.00 70.21 H new ATOM 0 HE1 HIS B 76 -2.583 18.014 -9.553 1.00 63.33 H new ATOM 0 HE2 HIS B 76 -2.960 17.076 -11.879 1.00 62.43 H new ATOM 3005 N PRO B 77 -3.491 10.236 -8.958 1.00 35.23 N ATOM 3006 CA PRO B 77 -3.305 8.992 -8.269 1.00 52.24 C ATOM 3007 C PRO B 77 -1.830 8.775 -7.945 1.00 51.22 C ATOM 3008 O PRO B 77 -0.956 8.720 -8.841 1.00 2.32 O ATOM 3009 CB PRO B 77 -3.838 7.986 -9.260 1.00 23.44 C ATOM 3010 CG PRO B 77 -3.515 8.573 -10.591 1.00 40.35 C ATOM 3011 CD PRO B 77 -3.655 10.055 -10.418 1.00 45.43 C ATOM 0 HA PRO B 77 -3.810 8.931 -7.305 1.00 52.24 H new ATOM 0 HB2 PRO B 77 -3.367 7.012 -9.130 1.00 23.44 H new ATOM 0 HB3 PRO B 77 -4.911 7.840 -9.140 1.00 23.44 H new ATOM 0 HG2 PRO B 77 -2.505 8.308 -10.902 1.00 40.35 H new ATOM 0 HG3 PRO B 77 -4.193 8.201 -11.359 1.00 40.35 H new ATOM 0 HD2 PRO B 77 -2.897 10.600 -10.980 1.00 45.43 H new ATOM 0 HD3 PRO B 77 -4.626 10.412 -10.763 1.00 45.43 H new ATOM 3019 N LYS B 78 -1.560 8.680 -6.684 1.00 62.40 N ATOM 3020 CA LYS B 78 -0.213 8.594 -6.151 1.00 24.35 C ATOM 3021 C LYS B 78 -0.013 7.304 -5.474 1.00 4.23 C ATOM 3022 O LYS B 78 -0.959 6.648 -5.145 1.00 60.31 O ATOM 3023 CB LYS B 78 -0.025 9.701 -5.132 1.00 71.01 C ATOM 3024 CG LYS B 78 -0.019 11.071 -5.738 1.00 31.45 C ATOM 3025 CD LYS B 78 -0.144 12.185 -4.708 1.00 14.24 C ATOM 3026 CE LYS B 78 0.632 11.969 -3.424 1.00 44.12 C ATOM 3027 NZ LYS B 78 -0.249 12.215 -2.267 1.00 54.40 N ATOM 0 H LYS B 78 -2.282 8.658 -5.964 1.00 62.40 H new ATOM 0 HA LYS B 78 0.501 8.688 -6.969 1.00 24.35 H new ATOM 0 HB2 LYS B 78 -0.823 9.643 -4.391 1.00 71.01 H new ATOM 0 HB3 LYS B 78 0.914 9.542 -4.602 1.00 71.01 H new ATOM 0 HG2 LYS B 78 0.904 11.208 -6.301 1.00 31.45 H new ATOM 0 HG3 LYS B 78 -0.841 11.150 -6.450 1.00 31.45 H new ATOM 0 HD2 LYS B 78 0.190 13.117 -5.163 1.00 14.24 H new ATOM 0 HD3 LYS B 78 -1.198 12.311 -4.460 1.00 14.24 H new ATOM 0 HE2 LYS B 78 1.020 10.951 -3.389 1.00 44.12 H new ATOM 0 HE3 LYS B 78 1.491 12.639 -3.389 1.00 44.12 H new ATOM 0 HZ1 LYS B 78 0.280 12.722 -1.529 1.00 54.40 H new ATOM 0 HZ2 LYS B 78 -1.063 12.790 -2.566 1.00 54.40 H new ATOM 0 HZ3 LYS B 78 -0.587 11.307 -1.889 1.00 54.40 H new ATOM 3041 N GLY B 79 1.212 6.956 -5.245 1.00 30.33 N ATOM 3042 CA GLY B 79 1.483 5.705 -4.611 1.00 53.41 C ATOM 3043 C GLY B 79 2.499 5.791 -3.505 1.00 0.23 C ATOM 3044 O GLY B 79 3.505 6.509 -3.602 1.00 61.10 O ATOM 0 H GLY B 79 2.033 7.512 -5.484 1.00 30.33 H new ATOM 0 HA2 GLY B 79 0.553 5.304 -4.207 1.00 53.41 H new ATOM 0 HA3 GLY B 79 1.836 4.997 -5.361 1.00 53.41 H new ATOM 3048 N TYR B 80 2.211 5.102 -2.440 1.00 2.42 N ATOM 3049 CA TYR B 80 3.131 4.921 -1.343 1.00 51.02 C ATOM 3050 C TYR B 80 3.088 3.420 -1.112 1.00 63.15 C ATOM 3051 O TYR B 80 2.022 2.823 -1.243 1.00 42.41 O ATOM 3052 CB TYR B 80 2.647 5.563 -0.008 1.00 73.44 C ATOM 3053 CG TYR B 80 2.142 7.008 0.048 1.00 35.55 C ATOM 3054 CD1 TYR B 80 1.684 7.682 -1.064 1.00 40.33 C ATOM 3055 CD2 TYR B 80 2.071 7.663 1.285 1.00 15.13 C ATOM 3056 CE1 TYR B 80 1.183 8.950 -0.976 1.00 34.55 C ATOM 3057 CE2 TYR B 80 1.575 8.945 1.396 1.00 74.32 C ATOM 3058 CZ TYR B 80 1.125 9.584 0.239 1.00 23.24 C ATOM 3059 OH TYR B 80 0.614 10.854 0.292 1.00 44.02 O ATOM 0 H TYR B 80 1.313 4.639 -2.302 1.00 2.42 H new ATOM 0 HA TYR B 80 4.095 5.366 -1.588 1.00 51.02 H new ATOM 0 HB2 TYR B 80 1.845 4.932 0.374 1.00 73.44 H new ATOM 0 HB3 TYR B 80 3.475 5.489 0.697 1.00 73.44 H new ATOM 0 HD1 TYR B 80 1.722 7.196 -2.028 1.00 40.33 H new ATOM 0 HD2 TYR B 80 2.413 7.151 2.173 1.00 15.13 H new ATOM 0 HE1 TYR B 80 0.832 9.454 -1.864 1.00 34.55 H new ATOM 0 HE2 TYR B 80 1.536 9.442 2.354 1.00 74.32 H new ATOM 0 HH TYR B 80 0.634 11.176 1.217 1.00 44.02 H new ATOM 3069 N ALA B 81 4.168 2.811 -0.797 1.00 35.54 N ATOM 3070 CA ALA B 81 4.166 1.399 -0.542 1.00 34.03 C ATOM 3071 C ALA B 81 5.053 1.075 0.621 1.00 63.42 C ATOM 3072 O ALA B 81 6.074 1.677 0.801 1.00 12.42 O ATOM 3073 CB ALA B 81 4.618 0.634 -1.775 1.00 32.25 C ATOM 0 H ALA B 81 5.078 3.262 -0.706 1.00 35.54 H new ATOM 0 HA ALA B 81 3.147 1.097 -0.299 1.00 34.03 H new ATOM 0 HB1 ALA B 81 4.610 -0.435 -1.563 1.00 32.25 H new ATOM 0 HB2 ALA B 81 3.941 0.845 -2.603 1.00 32.25 H new ATOM 0 HB3 ALA B 81 5.628 0.943 -2.045 1.00 32.25 H new ATOM 3079 N TYR B 82 4.643 0.159 1.416 1.00 2.32 N ATOM 3080 CA TYR B 82 5.435 -0.296 2.507 1.00 45.22 C ATOM 3081 C TYR B 82 5.887 -1.683 2.165 1.00 23.52 C ATOM 3082 O TYR B 82 5.053 -2.574 1.980 1.00 3.43 O ATOM 3083 CB TYR B 82 4.618 -0.360 3.786 1.00 71.34 C ATOM 3084 CG TYR B 82 3.861 0.885 4.130 1.00 41.45 C ATOM 3085 CD1 TYR B 82 4.496 2.119 4.290 1.00 12.32 C ATOM 3086 CD2 TYR B 82 2.502 0.822 4.299 1.00 64.35 C ATOM 3087 CE1 TYR B 82 3.755 3.249 4.617 1.00 51.21 C ATOM 3088 CE2 TYR B 82 1.773 1.914 4.614 1.00 13.33 C ATOM 3089 CZ TYR B 82 2.375 3.116 4.776 1.00 33.12 C ATOM 3090 OH TYR B 82 1.607 4.188 5.081 1.00 54.11 O ATOM 0 H TYR B 82 3.738 -0.305 1.331 1.00 2.32 H new ATOM 0 HA TYR B 82 6.270 0.386 2.668 1.00 45.22 H new ATOM 0 HB2 TYR B 82 3.909 -1.184 3.703 1.00 71.34 H new ATOM 0 HB3 TYR B 82 5.288 -0.597 4.613 1.00 71.34 H new ATOM 0 HD1 TYR B 82 5.565 2.195 4.159 1.00 12.32 H new ATOM 0 HD2 TYR B 82 2.001 -0.127 4.177 1.00 64.35 H new ATOM 0 HE1 TYR B 82 4.236 4.207 4.745 1.00 51.21 H new ATOM 0 HE2 TYR B 82 0.704 1.828 4.737 1.00 13.33 H new ATOM 0 HH TYR B 82 0.670 3.910 5.152 1.00 54.11 H new ATOM 3100 N ILE B 83 7.157 -1.879 2.039 1.00 23.43 N ATOM 3101 CA ILE B 83 7.669 -3.174 1.689 1.00 2.54 C ATOM 3102 C ILE B 83 8.213 -3.811 2.953 1.00 20.53 C ATOM 3103 O ILE B 83 9.061 -3.230 3.611 1.00 40.05 O ATOM 3104 CB ILE B 83 8.818 -3.052 0.639 1.00 24.53 C ATOM 3105 CG1 ILE B 83 8.434 -2.162 -0.552 1.00 34.45 C ATOM 3106 CG2 ILE B 83 9.236 -4.416 0.131 1.00 64.32 C ATOM 3107 CD1 ILE B 83 7.212 -2.604 -1.314 1.00 63.30 C ATOM 0 H ILE B 83 7.867 -1.159 2.173 1.00 23.43 H new ATOM 0 HA ILE B 83 6.873 -3.778 1.253 1.00 2.54 H new ATOM 0 HB ILE B 83 9.655 -2.582 1.156 1.00 24.53 H new ATOM 0 HG12 ILE B 83 8.269 -1.148 -0.189 1.00 34.45 H new ATOM 0 HG13 ILE B 83 9.277 -2.121 -1.241 1.00 34.45 H new ATOM 0 HG21 ILE B 83 10.038 -4.302 -0.599 1.00 64.32 H new ATOM 0 HG22 ILE B 83 9.588 -5.023 0.965 1.00 64.32 H new ATOM 0 HG23 ILE B 83 8.384 -4.906 -0.339 1.00 64.32 H new ATOM 0 HD11 ILE B 83 7.024 -1.911 -2.134 1.00 63.30 H new ATOM 0 HD12 ILE B 83 7.375 -3.605 -1.714 1.00 63.30 H new ATOM 0 HD13 ILE B 83 6.351 -2.616 -0.646 1.00 63.30 H new ATOM 3119 N GLU B 84 7.702 -4.954 3.323 1.00 72.42 N ATOM 3120 CA GLU B 84 8.158 -5.623 4.521 1.00 40.54 C ATOM 3121 C GLU B 84 8.978 -6.850 4.116 1.00 55.20 C ATOM 3122 O GLU B 84 8.475 -7.750 3.437 1.00 24.34 O ATOM 3123 CB GLU B 84 6.944 -6.004 5.410 1.00 60.34 C ATOM 3124 CG GLU B 84 5.996 -4.816 5.654 1.00 12.32 C ATOM 3125 CD GLU B 84 4.870 -5.076 6.640 1.00 2.21 C ATOM 3126 OE1 GLU B 84 3.907 -5.795 6.300 1.00 24.15 O ATOM 3127 OE2 GLU B 84 4.916 -4.520 7.762 1.00 1.23 O ATOM 0 H GLU B 84 6.968 -5.446 2.814 1.00 72.42 H new ATOM 0 HA GLU B 84 8.794 -4.962 5.110 1.00 40.54 H new ATOM 0 HB2 GLU B 84 6.391 -6.815 4.936 1.00 60.34 H new ATOM 0 HB3 GLU B 84 7.303 -6.381 6.368 1.00 60.34 H new ATOM 0 HG2 GLU B 84 6.584 -3.971 6.013 1.00 12.32 H new ATOM 0 HG3 GLU B 84 5.560 -4.518 4.700 1.00 12.32 H new ATOM 3134 N PHE B 85 10.233 -6.876 4.510 1.00 24.00 N ATOM 3135 CA PHE B 85 11.139 -7.952 4.122 1.00 72.41 C ATOM 3136 C PHE B 85 11.220 -9.038 5.168 1.00 54.32 C ATOM 3137 O PHE B 85 10.784 -8.867 6.303 1.00 55.13 O ATOM 3138 CB PHE B 85 12.547 -7.431 3.848 1.00 22.11 C ATOM 3139 CG PHE B 85 12.667 -6.506 2.681 1.00 71.42 C ATOM 3140 CD1 PHE B 85 12.808 -7.008 1.399 1.00 42.51 C ATOM 3141 CD2 PHE B 85 12.668 -5.141 2.861 1.00 5.01 C ATOM 3142 CE1 PHE B 85 12.946 -6.161 0.325 1.00 62.22 C ATOM 3143 CE2 PHE B 85 12.802 -4.295 1.790 1.00 14.13 C ATOM 3144 CZ PHE B 85 12.941 -4.802 0.526 1.00 13.32 C ATOM 0 H PHE B 85 10.657 -6.163 5.103 1.00 24.00 H new ATOM 0 HA PHE B 85 10.722 -8.374 3.208 1.00 72.41 H new ATOM 0 HB2 PHE B 85 12.906 -6.915 4.739 1.00 22.11 H new ATOM 0 HB3 PHE B 85 13.207 -8.283 3.685 1.00 22.11 H new ATOM 0 HD1 PHE B 85 12.810 -8.076 1.241 1.00 42.51 H new ATOM 0 HD2 PHE B 85 12.562 -4.733 3.855 1.00 5.01 H new ATOM 0 HE1 PHE B 85 13.058 -6.562 -0.672 1.00 62.22 H new ATOM 0 HE2 PHE B 85 12.798 -3.226 1.944 1.00 14.13 H new ATOM 0 HZ PHE B 85 13.047 -4.132 -0.315 1.00 13.32 H new ATOM 3154 N ALA B 86 11.752 -10.163 4.763 1.00 40.45 N ATOM 3155 CA ALA B 86 11.970 -11.274 5.649 1.00 2.23 C ATOM 3156 C ALA B 86 13.265 -11.113 6.461 1.00 41.01 C ATOM 3157 O ALA B 86 13.366 -11.618 7.575 1.00 43.11 O ATOM 3158 CB ALA B 86 11.984 -12.562 4.857 1.00 53.00 C ATOM 0 H ALA B 86 12.048 -10.333 3.802 1.00 40.45 H new ATOM 0 HA ALA B 86 11.149 -11.304 6.366 1.00 2.23 H new ATOM 0 HB1 ALA B 86 12.149 -13.402 5.532 1.00 53.00 H new ATOM 0 HB2 ALA B 86 11.028 -12.687 4.349 1.00 53.00 H new ATOM 0 HB3 ALA B 86 12.785 -12.526 4.119 1.00 53.00 H new ATOM 3164 N GLU B 87 14.257 -10.444 5.900 1.00 75.00 N ATOM 3165 CA GLU B 87 15.497 -10.191 6.630 1.00 34.32 C ATOM 3166 C GLU B 87 15.804 -8.708 6.883 1.00 11.34 C ATOM 3167 O GLU B 87 15.469 -7.832 6.075 1.00 42.12 O ATOM 3168 CB GLU B 87 16.736 -10.921 6.020 1.00 51.31 C ATOM 3169 CG GLU B 87 17.017 -10.738 4.538 1.00 3.42 C ATOM 3170 CD GLU B 87 15.972 -11.315 3.615 1.00 71.12 C ATOM 3171 OE1 GLU B 87 16.071 -12.506 3.265 1.00 52.02 O ATOM 3172 OE2 GLU B 87 15.067 -10.571 3.203 1.00 12.32 O ATOM 0 H GLU B 87 14.234 -10.068 4.952 1.00 75.00 H new ATOM 0 HA GLU B 87 15.302 -10.630 7.609 1.00 34.32 H new ATOM 0 HB2 GLU B 87 17.619 -10.595 6.569 1.00 51.31 H new ATOM 0 HB3 GLU B 87 16.620 -11.988 6.208 1.00 51.31 H new ATOM 0 HG2 GLU B 87 17.115 -9.672 4.331 1.00 3.42 H new ATOM 0 HG3 GLU B 87 17.978 -11.197 4.306 1.00 3.42 H new ATOM 3179 N ARG B 88 16.457 -8.451 8.027 1.00 11.10 N ATOM 3180 CA ARG B 88 16.941 -7.120 8.428 1.00 73.23 C ATOM 3181 C ARG B 88 18.002 -6.636 7.465 1.00 4.14 C ATOM 3182 O ARG B 88 18.194 -5.441 7.285 1.00 61.52 O ATOM 3183 CB ARG B 88 17.510 -7.169 9.859 1.00 72.30 C ATOM 3184 CG ARG B 88 16.466 -7.156 10.965 1.00 24.03 C ATOM 3185 CD ARG B 88 15.925 -5.746 11.174 1.00 32.11 C ATOM 3186 NE ARG B 88 16.997 -4.849 11.649 1.00 43.31 N ATOM 3187 CZ ARG B 88 17.022 -3.510 11.569 1.00 25.14 C ATOM 3188 NH1 ARG B 88 16.013 -2.840 11.037 1.00 4.10 N ATOM 3189 NH2 ARG B 88 18.066 -2.848 12.036 1.00 3.33 N ATOM 0 H ARG B 88 16.668 -9.176 8.713 1.00 11.10 H new ATOM 0 HA ARG B 88 16.103 -6.424 8.406 1.00 73.23 H new ATOM 0 HB2 ARG B 88 18.116 -8.069 9.962 1.00 72.30 H new ATOM 0 HB3 ARG B 88 18.176 -6.318 9.999 1.00 72.30 H new ATOM 0 HG2 ARG B 88 15.649 -7.831 10.710 1.00 24.03 H new ATOM 0 HG3 ARG B 88 16.906 -7.524 11.892 1.00 24.03 H new ATOM 0 HD2 ARG B 88 15.511 -5.366 10.240 1.00 32.11 H new ATOM 0 HD3 ARG B 88 15.111 -5.766 11.898 1.00 32.11 H new ATOM 0 HE ARG B 88 17.805 -5.295 12.084 1.00 43.31 H new ATOM 0 HH11 ARG B 88 15.200 -3.341 10.680 1.00 4.10 H new ATOM 0 HH12 ARG B 88 16.048 -1.822 10.984 1.00 4.10 H new ATOM 0 HH21 ARG B 88 18.846 -3.355 12.454 1.00 3.33 H new ATOM 0 HH22 ARG B 88 18.092 -1.830 11.978 1.00 3.33 H new ATOM 3203 N ASN B 89 18.692 -7.574 6.857 1.00 2.52 N ATOM 3204 CA ASN B 89 19.691 -7.259 5.838 1.00 61.43 C ATOM 3205 C ASN B 89 19.045 -6.496 4.709 1.00 32.33 C ATOM 3206 O ASN B 89 19.589 -5.509 4.213 1.00 3.43 O ATOM 3207 CB ASN B 89 20.281 -8.531 5.224 1.00 73.53 C ATOM 3208 CG ASN B 89 20.937 -9.473 6.208 1.00 34.03 C ATOM 3209 OD1 ASN B 89 21.460 -9.063 7.244 1.00 12.11 O ATOM 3210 ND2 ASN B 89 20.926 -10.743 5.885 1.00 32.02 N ATOM 0 H ASN B 89 18.585 -8.571 7.046 1.00 2.52 H new ATOM 0 HA ASN B 89 20.473 -6.677 6.325 1.00 61.43 H new ATOM 0 HB2 ASN B 89 19.487 -9.068 4.705 1.00 73.53 H new ATOM 0 HB3 ASN B 89 21.017 -8.246 4.472 1.00 73.53 H new ATOM 0 HD21 ASN B 89 21.361 -11.430 6.501 1.00 32.02 H new ATOM 0 HD22 ASN B 89 20.482 -11.045 5.017 1.00 32.02 H new ATOM 3217 N SER B 90 17.862 -6.932 4.322 1.00 45.42 N ATOM 3218 CA SER B 90 17.196 -6.402 3.179 1.00 21.13 C ATOM 3219 C SER B 90 16.675 -5.007 3.394 1.00 62.41 C ATOM 3220 O SER B 90 16.736 -4.178 2.493 1.00 22.41 O ATOM 3221 CB SER B 90 16.094 -7.326 2.764 1.00 54.40 C ATOM 3222 OG SER B 90 16.632 -8.590 2.486 1.00 54.02 O ATOM 0 H SER B 90 17.345 -7.668 4.803 1.00 45.42 H new ATOM 0 HA SER B 90 17.933 -6.328 2.379 1.00 21.13 H new ATOM 0 HB2 SER B 90 15.349 -7.401 3.556 1.00 54.40 H new ATOM 0 HB3 SER B 90 15.585 -6.932 1.884 1.00 54.40 H new ATOM 0 HG SER B 90 15.907 -9.244 2.408 1.00 54.02 H new ATOM 3228 N VAL B 91 16.186 -4.732 4.596 1.00 42.13 N ATOM 3229 CA VAL B 91 15.659 -3.420 4.895 1.00 55.43 C ATOM 3230 C VAL B 91 16.787 -2.405 4.837 1.00 62.50 C ATOM 3231 O VAL B 91 16.620 -1.304 4.306 1.00 33.12 O ATOM 3232 CB VAL B 91 14.901 -3.362 6.283 1.00 61.32 C ATOM 3233 CG1 VAL B 91 15.800 -3.674 7.459 1.00 23.54 C ATOM 3234 CG2 VAL B 91 14.242 -2.009 6.493 1.00 45.13 C ATOM 0 H VAL B 91 16.146 -5.397 5.369 1.00 42.13 H new ATOM 0 HA VAL B 91 14.910 -3.178 4.141 1.00 55.43 H new ATOM 0 HB VAL B 91 14.136 -4.137 6.237 1.00 61.32 H new ATOM 0 HG11 VAL B 91 15.224 -3.618 8.382 1.00 23.54 H new ATOM 0 HG12 VAL B 91 16.210 -4.678 7.347 1.00 23.54 H new ATOM 0 HG13 VAL B 91 16.615 -2.951 7.496 1.00 23.54 H new ATOM 0 HG21 VAL B 91 13.729 -1.999 7.455 1.00 45.13 H new ATOM 0 HG22 VAL B 91 15.002 -1.228 6.479 1.00 45.13 H new ATOM 0 HG23 VAL B 91 13.521 -1.828 5.696 1.00 45.13 H new ATOM 3244 N ASP B 92 17.959 -2.814 5.325 1.00 0.25 N ATOM 3245 CA ASP B 92 19.112 -1.939 5.382 1.00 71.00 C ATOM 3246 C ASP B 92 19.621 -1.659 3.969 1.00 60.42 C ATOM 3247 O ASP B 92 20.053 -0.549 3.645 1.00 4.42 O ATOM 3248 CB ASP B 92 20.210 -2.589 6.209 1.00 2.32 C ATOM 3249 CG ASP B 92 21.226 -1.575 6.703 1.00 52.33 C ATOM 3250 OD1 ASP B 92 22.172 -1.241 5.977 1.00 44.12 O ATOM 3251 OD2 ASP B 92 21.071 -1.082 7.853 1.00 50.34 O ATOM 0 H ASP B 92 18.127 -3.753 5.686 1.00 0.25 H new ATOM 0 HA ASP B 92 18.824 -0.997 5.849 1.00 71.00 H new ATOM 0 HB2 ASP B 92 19.766 -3.102 7.062 1.00 2.32 H new ATOM 0 HB3 ASP B 92 20.715 -3.346 5.609 1.00 2.32 H new ATOM 3256 N ALA B 93 19.527 -2.669 3.123 1.00 30.42 N ATOM 3257 CA ALA B 93 19.968 -2.561 1.748 1.00 0.12 C ATOM 3258 C ALA B 93 18.997 -1.708 0.940 1.00 63.31 C ATOM 3259 O ALA B 93 19.397 -0.998 0.019 1.00 45.42 O ATOM 3260 CB ALA B 93 20.116 -3.943 1.125 1.00 23.20 C ATOM 0 H ALA B 93 19.145 -3.582 3.370 1.00 30.42 H new ATOM 0 HA ALA B 93 20.943 -2.073 1.736 1.00 0.12 H new ATOM 0 HB1 ALA B 93 20.448 -3.843 0.092 1.00 23.20 H new ATOM 0 HB2 ALA B 93 20.850 -4.519 1.688 1.00 23.20 H new ATOM 0 HB3 ALA B 93 19.155 -4.458 1.149 1.00 23.20 H new ATOM 3266 N ALA B 94 17.727 -1.761 1.305 1.00 4.44 N ATOM 3267 CA ALA B 94 16.708 -1.026 0.590 1.00 35.43 C ATOM 3268 C ALA B 94 16.750 0.456 0.944 1.00 13.33 C ATOM 3269 O ALA B 94 16.709 1.301 0.066 1.00 71.02 O ATOM 3270 CB ALA B 94 15.325 -1.618 0.836 1.00 15.51 C ATOM 0 H ALA B 94 17.381 -2.307 2.094 1.00 4.44 H new ATOM 0 HA ALA B 94 16.918 -1.117 -0.476 1.00 35.43 H new ATOM 0 HB1 ALA B 94 14.580 -1.044 0.285 1.00 15.51 H new ATOM 0 HB2 ALA B 94 15.307 -2.654 0.498 1.00 15.51 H new ATOM 0 HB3 ALA B 94 15.097 -1.580 1.901 1.00 15.51 H new ATOM 3276 N VAL B 95 16.862 0.759 2.240 1.00 61.42 N ATOM 3277 CA VAL B 95 16.950 2.155 2.726 1.00 55.52 C ATOM 3278 C VAL B 95 18.146 2.918 2.137 1.00 51.02 C ATOM 3279 O VAL B 95 18.140 4.141 2.082 1.00 30.43 O ATOM 3280 CB VAL B 95 16.933 2.268 4.274 1.00 14.03 C ATOM 3281 CG1 VAL B 95 15.647 1.698 4.836 1.00 33.12 C ATOM 3282 CG2 VAL B 95 18.145 1.617 4.912 1.00 21.41 C ATOM 0 H VAL B 95 16.895 0.059 2.981 1.00 61.42 H new ATOM 0 HA VAL B 95 16.042 2.634 2.360 1.00 55.52 H new ATOM 0 HB VAL B 95 16.980 3.328 4.522 1.00 14.03 H new ATOM 0 HG11 VAL B 95 15.654 1.786 5.922 1.00 33.12 H new ATOM 0 HG12 VAL B 95 14.798 2.249 4.433 1.00 33.12 H new ATOM 0 HG13 VAL B 95 15.563 0.647 4.558 1.00 33.12 H new ATOM 0 HG21 VAL B 95 18.087 1.723 5.995 1.00 21.41 H new ATOM 0 HG22 VAL B 95 18.169 0.559 4.651 1.00 21.41 H new ATOM 0 HG23 VAL B 95 19.052 2.101 4.549 1.00 21.41 H new ATOM 3292 N ALA B 96 19.162 2.179 1.680 1.00 73.10 N ATOM 3293 CA ALA B 96 20.351 2.778 1.055 1.00 3.53 C ATOM 3294 C ALA B 96 19.991 3.427 -0.295 1.00 73.54 C ATOM 3295 O ALA B 96 20.769 4.188 -0.867 1.00 5.40 O ATOM 3296 CB ALA B 96 21.431 1.723 0.860 1.00 54.12 C ATOM 0 H ALA B 96 19.187 1.161 1.731 1.00 73.10 H new ATOM 0 HA ALA B 96 20.732 3.555 1.718 1.00 3.53 H new ATOM 0 HB1 ALA B 96 22.306 2.179 0.397 1.00 54.12 H new ATOM 0 HB2 ALA B 96 21.710 1.304 1.827 1.00 54.12 H new ATOM 0 HB3 ALA B 96 21.052 0.929 0.217 1.00 54.12 H new ATOM 3302 N MET B 97 18.810 3.116 -0.772 1.00 32.21 N ATOM 3303 CA MET B 97 18.305 3.638 -2.037 1.00 71.31 C ATOM 3304 C MET B 97 17.353 4.798 -1.799 1.00 53.52 C ATOM 3305 O MET B 97 16.646 5.187 -2.706 1.00 73.01 O ATOM 3306 CB MET B 97 17.574 2.541 -2.845 1.00 54.32 C ATOM 3307 CG MET B 97 18.431 1.337 -3.224 1.00 74.13 C ATOM 3308 SD MET B 97 17.555 0.127 -4.274 1.00 73.11 S ATOM 3309 CE MET B 97 16.203 -0.385 -3.220 1.00 73.22 C ATOM 0 H MET B 97 18.161 2.489 -0.296 1.00 32.21 H new ATOM 0 HA MET B 97 19.165 3.985 -2.610 1.00 71.31 H new ATOM 0 HB2 MET B 97 16.721 2.191 -2.264 1.00 54.32 H new ATOM 0 HB3 MET B 97 17.178 2.987 -3.757 1.00 54.32 H new ATOM 0 HG2 MET B 97 19.321 1.684 -3.748 1.00 74.13 H new ATOM 0 HG3 MET B 97 18.770 0.840 -2.315 1.00 74.13 H new ATOM 0 HE1 MET B 97 16.193 -1.472 -3.144 1.00 73.22 H new ATOM 0 HE2 MET B 97 16.332 0.047 -2.228 1.00 73.22 H new ATOM 0 HE3 MET B 97 15.260 -0.042 -3.646 1.00 73.22 H new ATOM 3319 N ASP B 98 17.319 5.337 -0.561 1.00 4.34 N ATOM 3320 CA ASP B 98 16.417 6.464 -0.223 1.00 10.24 C ATOM 3321 C ASP B 98 16.465 7.587 -1.238 1.00 12.11 C ATOM 3322 O ASP B 98 15.439 8.179 -1.548 1.00 44.32 O ATOM 3323 CB ASP B 98 16.633 6.990 1.195 1.00 74.31 C ATOM 3324 CG ASP B 98 17.859 7.837 1.386 1.00 61.44 C ATOM 3325 OD1 ASP B 98 18.977 7.298 1.390 1.00 74.14 O ATOM 3326 OD2 ASP B 98 17.709 9.062 1.589 1.00 0.24 O ATOM 0 H ASP B 98 17.898 5.016 0.215 1.00 4.34 H new ATOM 0 HA ASP B 98 15.411 6.045 -0.262 1.00 10.24 H new ATOM 0 HB2 ASP B 98 15.759 7.574 1.485 1.00 74.31 H new ATOM 0 HB3 ASP B 98 16.689 6.140 1.875 1.00 74.31 H new ATOM 3331 N GLU B 99 17.631 7.909 -1.721 1.00 1.12 N ATOM 3332 CA GLU B 99 17.771 8.804 -2.806 1.00 72.22 C ATOM 3333 C GLU B 99 18.104 7.991 -4.055 1.00 55.31 C ATOM 3334 O GLU B 99 19.197 7.429 -4.174 1.00 12.03 O ATOM 3335 CB GLU B 99 18.882 9.810 -2.475 1.00 63.13 C ATOM 3336 CG GLU B 99 19.209 10.811 -3.564 1.00 3.42 C ATOM 3337 CD GLU B 99 18.018 11.604 -4.018 1.00 1.44 C ATOM 3338 OE1 GLU B 99 17.262 12.107 -3.164 1.00 61.30 O ATOM 3339 OE2 GLU B 99 17.817 11.726 -5.248 1.00 53.12 O ATOM 0 H GLU B 99 18.514 7.547 -1.360 1.00 1.12 H new ATOM 0 HA GLU B 99 16.851 9.361 -2.986 1.00 72.22 H new ATOM 0 HB2 GLU B 99 18.595 10.358 -1.578 1.00 63.13 H new ATOM 0 HB3 GLU B 99 19.789 9.255 -2.233 1.00 63.13 H new ATOM 0 HG2 GLU B 99 19.976 11.495 -3.201 1.00 3.42 H new ATOM 0 HG3 GLU B 99 19.632 10.283 -4.418 1.00 3.42 H new ATOM 3346 N THR B 100 17.157 7.897 -4.936 1.00 3.21 N ATOM 3347 CA THR B 100 17.323 7.174 -6.164 1.00 32.24 C ATOM 3348 C THR B 100 16.224 7.594 -7.122 1.00 54.21 C ATOM 3349 O THR B 100 15.259 8.262 -6.721 1.00 44.52 O ATOM 3350 CB THR B 100 17.283 5.616 -5.953 1.00 74.12 C ATOM 3351 OG1 THR B 100 17.724 4.945 -7.147 1.00 41.34 O ATOM 3352 CG2 THR B 100 15.871 5.133 -5.630 1.00 55.11 C ATOM 0 H THR B 100 16.237 8.323 -4.824 1.00 3.21 H new ATOM 0 HA THR B 100 18.306 7.412 -6.571 1.00 32.24 H new ATOM 0 HB THR B 100 17.942 5.385 -5.116 1.00 74.12 H new ATOM 0 HG1 THR B 100 17.698 3.976 -7.006 1.00 41.34 H new ATOM 0 HG21 THR B 100 15.879 4.052 -5.490 1.00 55.11 H new ATOM 0 HG22 THR B 100 15.522 5.614 -4.716 1.00 55.11 H new ATOM 0 HG23 THR B 100 15.202 5.387 -6.452 1.00 55.11 H new ATOM 3360 N VAL B 101 16.346 7.200 -8.349 1.00 60.12 N ATOM 3361 CA VAL B 101 15.388 7.538 -9.339 1.00 63.42 C ATOM 3362 C VAL B 101 14.793 6.260 -9.934 1.00 41.54 C ATOM 3363 O VAL B 101 15.514 5.352 -10.378 1.00 32.12 O ATOM 3364 CB VAL B 101 16.001 8.475 -10.424 1.00 73.32 C ATOM 3365 CG1 VAL B 101 17.196 7.840 -11.088 1.00 13.12 C ATOM 3366 CG2 VAL B 101 14.968 8.899 -11.448 1.00 30.34 C ATOM 0 H VAL B 101 17.121 6.631 -8.690 1.00 60.12 H new ATOM 0 HA VAL B 101 14.577 8.102 -8.878 1.00 63.42 H new ATOM 0 HB VAL B 101 16.343 9.375 -9.914 1.00 73.32 H new ATOM 0 HG11 VAL B 101 17.599 8.520 -11.839 1.00 13.12 H new ATOM 0 HG12 VAL B 101 17.960 7.632 -10.339 1.00 13.12 H new ATOM 0 HG13 VAL B 101 16.894 6.908 -11.567 1.00 13.12 H new ATOM 0 HG21 VAL B 101 15.434 9.551 -12.187 1.00 30.34 H new ATOM 0 HG22 VAL B 101 14.565 8.017 -11.945 1.00 30.34 H new ATOM 0 HG23 VAL B 101 14.160 9.435 -10.950 1.00 30.34 H new ATOM 3376 N PHE B 102 13.501 6.174 -9.891 1.00 74.43 N ATOM 3377 CA PHE B 102 12.785 5.035 -10.381 1.00 62.21 C ATOM 3378 C PHE B 102 11.693 5.513 -11.303 1.00 52.14 C ATOM 3379 O PHE B 102 10.936 6.409 -10.946 1.00 62.34 O ATOM 3380 CB PHE B 102 12.201 4.245 -9.200 1.00 3.22 C ATOM 3381 CG PHE B 102 11.459 2.994 -9.584 1.00 33.31 C ATOM 3382 CD1 PHE B 102 12.148 1.825 -9.848 1.00 20.43 C ATOM 3383 CD2 PHE B 102 10.075 2.989 -9.682 1.00 42.03 C ATOM 3384 CE1 PHE B 102 11.476 0.672 -10.198 1.00 4.05 C ATOM 3385 CE2 PHE B 102 9.397 1.841 -10.033 1.00 50.21 C ATOM 3386 CZ PHE B 102 10.099 0.681 -10.290 1.00 11.13 C ATOM 0 H PHE B 102 12.902 6.905 -9.508 1.00 74.43 H new ATOM 0 HA PHE B 102 13.453 4.374 -10.933 1.00 62.21 H new ATOM 0 HB2 PHE B 102 13.013 3.976 -8.524 1.00 3.22 H new ATOM 0 HB3 PHE B 102 11.525 4.895 -8.644 1.00 3.22 H new ATOM 0 HD1 PHE B 102 13.226 1.814 -9.779 1.00 20.43 H new ATOM 0 HD2 PHE B 102 9.522 3.895 -9.481 1.00 42.03 H new ATOM 0 HE1 PHE B 102 12.026 -0.235 -10.399 1.00 4.05 H new ATOM 0 HE2 PHE B 102 8.320 1.850 -10.107 1.00 50.21 H new ATOM 0 HZ PHE B 102 9.570 -0.220 -10.563 1.00 11.13 H new ATOM 3396 N ARG B 103 11.637 4.933 -12.494 1.00 75.23 N ATOM 3397 CA ARG B 103 10.662 5.268 -13.537 1.00 3.02 C ATOM 3398 C ARG B 103 10.718 6.787 -13.868 1.00 31.45 C ATOM 3399 O ARG B 103 9.742 7.407 -14.289 1.00 21.32 O ATOM 3400 CB ARG B 103 9.267 4.795 -13.073 1.00 22.25 C ATOM 3401 CG ARG B 103 8.191 4.859 -14.134 1.00 31.53 C ATOM 3402 CD ARG B 103 6.919 4.179 -13.670 1.00 51.51 C ATOM 3403 NE ARG B 103 7.143 2.750 -13.354 1.00 5.42 N ATOM 3404 CZ ARG B 103 6.616 1.731 -14.042 1.00 60.45 C ATOM 3405 NH1 ARG B 103 5.937 1.969 -15.154 1.00 2.44 N ATOM 3406 NH2 ARG B 103 6.801 0.480 -13.644 1.00 54.02 N ATOM 0 H ARG B 103 12.284 4.196 -12.774 1.00 75.23 H new ATOM 0 HA ARG B 103 10.898 4.753 -14.468 1.00 3.02 H new ATOM 0 HB2 ARG B 103 9.347 3.768 -12.718 1.00 22.25 H new ATOM 0 HB3 ARG B 103 8.957 5.403 -12.223 1.00 22.25 H new ATOM 0 HG2 ARG B 103 7.981 5.900 -14.379 1.00 31.53 H new ATOM 0 HG3 ARG B 103 8.549 4.382 -15.047 1.00 31.53 H new ATOM 0 HD2 ARG B 103 6.535 4.690 -12.788 1.00 51.51 H new ATOM 0 HD3 ARG B 103 6.157 4.265 -14.445 1.00 51.51 H new ATOM 0 HE ARG B 103 7.740 2.527 -12.557 1.00 5.42 H new ATOM 0 HH11 ARG B 103 5.817 2.927 -15.483 1.00 2.44 H new ATOM 0 HH12 ARG B 103 5.534 1.194 -15.681 1.00 2.44 H new ATOM 0 HH21 ARG B 103 7.350 0.287 -12.806 1.00 54.02 H new ATOM 0 HH22 ARG B 103 6.395 -0.290 -14.176 1.00 54.02 H new ATOM 3420 N GLY B 104 11.913 7.332 -13.737 1.00 3.14 N ATOM 3421 CA GLY B 104 12.175 8.718 -14.079 1.00 33.40 C ATOM 3422 C GLY B 104 11.840 9.707 -12.968 1.00 61.43 C ATOM 3423 O GLY B 104 11.909 10.918 -13.177 1.00 61.14 O ATOM 0 H GLY B 104 12.729 6.827 -13.391 1.00 3.14 H new ATOM 0 HA2 GLY B 104 13.228 8.824 -14.340 1.00 33.40 H new ATOM 0 HA3 GLY B 104 11.599 8.977 -14.967 1.00 33.40 H new ATOM 3427 N ARG B 105 11.468 9.213 -11.803 1.00 51.01 N ATOM 3428 CA ARG B 105 11.144 10.089 -10.682 1.00 73.45 C ATOM 3429 C ARG B 105 11.909 9.659 -9.439 1.00 15.40 C ATOM 3430 O ARG B 105 12.204 8.477 -9.255 1.00 11.54 O ATOM 3431 CB ARG B 105 9.630 10.076 -10.429 1.00 3.30 C ATOM 3432 CG ARG B 105 9.081 8.711 -10.054 1.00 23.11 C ATOM 3433 CD ARG B 105 7.578 8.685 -10.111 1.00 24.52 C ATOM 3434 NE ARG B 105 6.923 9.574 -9.162 1.00 11.51 N ATOM 3435 CZ ARG B 105 5.838 10.298 -9.457 1.00 34.11 C ATOM 3436 NH1 ARG B 105 5.408 10.379 -10.720 1.00 62.11 N ATOM 3437 NH2 ARG B 105 5.195 10.954 -8.505 1.00 1.12 N ATOM 0 H ARG B 105 11.381 8.216 -11.604 1.00 51.01 H new ATOM 0 HA ARG B 105 11.443 11.108 -10.926 1.00 73.45 H new ATOM 0 HB2 ARG B 105 9.399 10.782 -9.631 1.00 3.30 H new ATOM 0 HB3 ARG B 105 9.119 10.429 -11.325 1.00 3.30 H new ATOM 0 HG2 ARG B 105 9.485 7.957 -10.730 1.00 23.11 H new ATOM 0 HG3 ARG B 105 9.412 8.448 -9.049 1.00 23.11 H new ATOM 0 HD2 ARG B 105 7.260 8.952 -11.119 1.00 24.52 H new ATOM 0 HD3 ARG B 105 7.238 7.666 -9.929 1.00 24.52 H new ATOM 0 HE ARG B 105 7.312 9.649 -8.222 1.00 11.51 H new ATOM 0 HH11 ARG B 105 5.908 9.888 -11.461 1.00 62.11 H new ATOM 0 HH12 ARG B 105 4.580 10.932 -10.942 1.00 62.11 H new ATOM 0 HH21 ARG B 105 5.526 10.909 -7.541 1.00 1.12 H new ATOM 0 HH22 ARG B 105 4.368 11.505 -8.735 1.00 1.12 H new ATOM 3451 N THR B 106 12.242 10.599 -8.612 1.00 63.00 N ATOM 3452 CA THR B 106 12.968 10.314 -7.407 1.00 74.31 C ATOM 3453 C THR B 106 12.010 9.811 -6.337 1.00 52.34 C ATOM 3454 O THR B 106 11.040 10.487 -5.992 1.00 41.22 O ATOM 3455 CB THR B 106 13.682 11.578 -6.903 1.00 1.11 C ATOM 3456 OG1 THR B 106 14.489 12.108 -7.970 1.00 1.13 O ATOM 3457 CG2 THR B 106 14.577 11.254 -5.714 1.00 13.21 C ATOM 0 H THR B 106 12.021 11.585 -8.749 1.00 63.00 H new ATOM 0 HA THR B 106 13.713 9.547 -7.620 1.00 74.31 H new ATOM 0 HB THR B 106 12.935 12.306 -6.588 1.00 1.11 H new ATOM 0 HG1 THR B 106 14.949 12.917 -7.662 1.00 1.13 H new ATOM 0 HG21 THR B 106 15.073 12.163 -5.373 1.00 13.21 H new ATOM 0 HG22 THR B 106 13.973 10.845 -4.904 1.00 13.21 H new ATOM 0 HG23 THR B 106 15.327 10.522 -6.012 1.00 13.21 H new ATOM 3465 N ILE B 107 12.243 8.626 -5.851 1.00 63.31 N ATOM 3466 CA ILE B 107 11.410 8.092 -4.786 1.00 73.44 C ATOM 3467 C ILE B 107 12.126 8.196 -3.452 1.00 32.14 C ATOM 3468 O ILE B 107 13.300 8.550 -3.404 1.00 25.51 O ATOM 3469 CB ILE B 107 10.993 6.616 -5.047 1.00 63.03 C ATOM 3470 CG1 ILE B 107 12.233 5.708 -5.165 1.00 42.55 C ATOM 3471 CG2 ILE B 107 10.127 6.525 -6.304 1.00 13.51 C ATOM 3472 CD1 ILE B 107 11.915 4.236 -5.366 1.00 61.32 C ATOM 0 H ILE B 107 12.992 8.008 -6.164 1.00 63.31 H new ATOM 0 HA ILE B 107 10.501 8.692 -4.761 1.00 73.44 H new ATOM 0 HB ILE B 107 10.405 6.267 -4.198 1.00 63.03 H new ATOM 0 HG12 ILE B 107 12.843 6.053 -6.000 1.00 42.55 H new ATOM 0 HG13 ILE B 107 12.836 5.817 -4.263 1.00 42.55 H new ATOM 0 HG21 ILE B 107 9.842 5.487 -6.475 1.00 13.51 H new ATOM 0 HG22 ILE B 107 9.230 7.130 -6.173 1.00 13.51 H new ATOM 0 HG23 ILE B 107 10.691 6.893 -7.161 1.00 13.51 H new ATOM 0 HD11 ILE B 107 12.844 3.670 -5.439 1.00 61.32 H new ATOM 0 HD12 ILE B 107 11.333 3.871 -4.520 1.00 61.32 H new ATOM 0 HD13 ILE B 107 11.340 4.110 -6.283 1.00 61.32 H new ATOM 3484 N LYS B 108 11.414 7.915 -2.375 1.00 54.50 N ATOM 3485 CA LYS B 108 11.969 8.013 -1.039 1.00 63.31 C ATOM 3486 C LYS B 108 11.712 6.728 -0.299 1.00 5.52 C ATOM 3487 O LYS B 108 10.556 6.290 -0.205 1.00 72.42 O ATOM 3488 CB LYS B 108 11.334 9.193 -0.260 1.00 32.13 C ATOM 3489 CG LYS B 108 11.846 9.342 1.180 1.00 11.33 C ATOM 3490 CD LYS B 108 13.340 9.566 1.189 1.00 40.43 C ATOM 3491 CE LYS B 108 13.916 9.678 2.596 1.00 75.15 C ATOM 3492 NZ LYS B 108 15.356 10.050 2.580 1.00 4.42 N ATOM 0 H LYS B 108 10.440 7.614 -2.402 1.00 54.50 H new ATOM 0 HA LYS B 108 13.041 8.191 -1.120 1.00 63.31 H new ATOM 0 HB2 LYS B 108 11.530 10.119 -0.801 1.00 32.13 H new ATOM 0 HB3 LYS B 108 10.252 9.059 -0.238 1.00 32.13 H new ATOM 0 HG2 LYS B 108 11.344 10.178 1.666 1.00 11.33 H new ATOM 0 HG3 LYS B 108 11.603 8.447 1.753 1.00 11.33 H new ATOM 0 HD2 LYS B 108 13.829 8.743 0.667 1.00 40.43 H new ATOM 0 HD3 LYS B 108 13.569 10.476 0.635 1.00 40.43 H new ATOM 0 HE2 LYS B 108 13.355 10.424 3.159 1.00 75.15 H new ATOM 0 HE3 LYS B 108 13.793 8.727 3.115 1.00 75.15 H new ATOM 0 HZ1 LYS B 108 15.787 9.808 3.495 1.00 4.42 H new ATOM 0 HZ2 LYS B 108 15.840 9.530 1.820 1.00 4.42 H new ATOM 0 HZ3 LYS B 108 15.449 11.072 2.414 1.00 4.42 H new ATOM 3506 N VAL B 109 12.766 6.120 0.217 1.00 44.44 N ATOM 3507 CA VAL B 109 12.639 4.893 0.963 1.00 62.22 C ATOM 3508 C VAL B 109 13.329 4.987 2.337 1.00 42.03 C ATOM 3509 O VAL B 109 14.501 5.324 2.436 1.00 40.24 O ATOM 3510 CB VAL B 109 13.088 3.617 0.175 1.00 41.22 C ATOM 3511 CG1 VAL B 109 12.268 3.435 -1.074 1.00 44.11 C ATOM 3512 CG2 VAL B 109 14.536 3.628 -0.194 1.00 73.30 C ATOM 0 H VAL B 109 13.722 6.463 0.129 1.00 44.44 H new ATOM 0 HA VAL B 109 11.569 4.767 1.131 1.00 62.22 H new ATOM 0 HB VAL B 109 12.925 2.783 0.857 1.00 41.22 H new ATOM 0 HG11 VAL B 109 12.602 2.541 -1.601 1.00 44.11 H new ATOM 0 HG12 VAL B 109 11.217 3.327 -0.807 1.00 44.11 H new ATOM 0 HG13 VAL B 109 12.391 4.304 -1.720 1.00 44.11 H new ATOM 0 HG21 VAL B 109 14.780 2.715 -0.738 1.00 73.30 H new ATOM 0 HG22 VAL B 109 14.744 4.492 -0.824 1.00 73.30 H new ATOM 0 HG23 VAL B 109 15.142 3.684 0.711 1.00 73.30 H new ATOM 3522 N LEU B 110 12.593 4.725 3.379 1.00 2.25 N ATOM 3523 CA LEU B 110 13.118 4.753 4.742 1.00 50.20 C ATOM 3524 C LEU B 110 12.344 3.697 5.540 1.00 40.12 C ATOM 3525 O LEU B 110 11.326 3.276 5.073 1.00 4.02 O ATOM 3526 CB LEU B 110 13.097 6.215 5.379 1.00 43.50 C ATOM 3527 CG LEU B 110 11.756 6.932 5.680 1.00 70.31 C ATOM 3528 CD1 LEU B 110 10.867 7.028 4.488 1.00 20.42 C ATOM 3529 CD2 LEU B 110 11.054 6.350 6.887 1.00 60.12 C ATOM 0 H LEU B 110 11.604 4.483 3.322 1.00 2.25 H new ATOM 0 HA LEU B 110 14.178 4.501 4.758 1.00 50.20 H new ATOM 0 HB2 LEU B 110 13.650 6.163 6.317 1.00 43.50 H new ATOM 0 HB3 LEU B 110 13.664 6.863 4.711 1.00 43.50 H new ATOM 0 HG LEU B 110 12.013 7.960 5.938 1.00 70.31 H new ATOM 0 HD11 LEU B 110 9.944 7.540 4.762 1.00 20.42 H new ATOM 0 HD12 LEU B 110 11.372 7.588 3.701 1.00 20.42 H new ATOM 0 HD13 LEU B 110 10.633 6.026 4.127 1.00 20.42 H new ATOM 0 HD21 LEU B 110 10.120 6.885 7.058 1.00 60.12 H new ATOM 0 HD22 LEU B 110 10.841 5.296 6.711 1.00 60.12 H new ATOM 0 HD23 LEU B 110 11.694 6.449 7.763 1.00 60.12 H new ATOM 3541 N PRO B 111 12.788 3.256 6.718 1.00 73.44 N ATOM 3542 CA PRO B 111 12.112 2.153 7.459 1.00 44.03 C ATOM 3543 C PRO B 111 10.675 2.508 7.976 1.00 43.02 C ATOM 3544 O PRO B 111 10.425 3.630 8.422 1.00 12.13 O ATOM 3545 CB PRO B 111 13.048 1.907 8.637 1.00 72.11 C ATOM 3546 CG PRO B 111 14.327 2.591 8.285 1.00 42.31 C ATOM 3547 CD PRO B 111 13.948 3.762 7.455 1.00 44.32 C ATOM 0 HA PRO B 111 11.951 1.292 6.811 1.00 44.03 H new ATOM 0 HB2 PRO B 111 12.630 2.309 9.560 1.00 72.11 H new ATOM 0 HB3 PRO B 111 13.205 0.840 8.796 1.00 72.11 H new ATOM 0 HG2 PRO B 111 14.862 2.905 9.182 1.00 42.31 H new ATOM 0 HG3 PRO B 111 14.990 1.922 7.736 1.00 42.31 H new ATOM 0 HD2 PRO B 111 13.696 4.629 8.065 1.00 44.32 H new ATOM 0 HD3 PRO B 111 14.754 4.066 6.787 1.00 44.32 H new ATOM 3555 N LYS B 112 9.758 1.519 7.953 1.00 72.32 N ATOM 3556 CA LYS B 112 8.335 1.714 8.370 1.00 30.12 C ATOM 3557 C LYS B 112 8.045 0.891 9.638 1.00 50.43 C ATOM 3558 O LYS B 112 8.576 -0.189 9.789 1.00 4.41 O ATOM 3559 CB LYS B 112 7.378 1.275 7.197 1.00 24.25 C ATOM 3560 CG LYS B 112 5.834 1.502 7.415 1.00 13.52 C ATOM 3561 CD LYS B 112 5.168 0.464 8.356 1.00 64.21 C ATOM 3562 CE LYS B 112 5.140 -0.928 7.725 1.00 53.53 C ATOM 3563 NZ LYS B 112 4.727 -2.007 8.676 1.00 23.13 N ATOM 0 H LYS B 112 9.970 0.568 7.650 1.00 72.32 H new ATOM 0 HA LYS B 112 8.161 2.767 8.592 1.00 30.12 H new ATOM 0 HB2 LYS B 112 7.676 1.812 6.297 1.00 24.25 H new ATOM 0 HB3 LYS B 112 7.541 0.215 7.004 1.00 24.25 H new ATOM 0 HG2 LYS B 112 5.679 2.500 7.825 1.00 13.52 H new ATOM 0 HG3 LYS B 112 5.333 1.473 6.447 1.00 13.52 H new ATOM 0 HD2 LYS B 112 5.712 0.426 9.300 1.00 64.21 H new ATOM 0 HD3 LYS B 112 4.151 0.781 8.587 1.00 64.21 H new ATOM 0 HE2 LYS B 112 4.455 -0.920 6.877 1.00 53.53 H new ATOM 0 HE3 LYS B 112 6.130 -1.160 7.332 1.00 53.53 H new ATOM 0 HZ1 LYS B 112 5.102 -2.920 8.349 1.00 23.13 H new ATOM 0 HZ2 LYS B 112 5.102 -1.797 9.623 1.00 23.13 H new ATOM 0 HZ3 LYS B 112 3.689 -2.054 8.718 1.00 23.13 H new