USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=46 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 56 HIS : no HD1:sc= 0 X(o=-2,f=-2) USER MOD Set 1.2: B 60 CYS SG : rot 100:sc= -1.92! USER MOD Set 1.3: B 97 MET CE :methyl -149:sc= -0.0414 (180deg=-0.304) USER MOD Set 2.1: B 46 TYR OH : rot -179:sc= -1.57! USER MOD Set 2.2: B 72 LYS NZ :NH3+ -178:sc= 0.773 (180deg=0.534) USER MOD Set 3.1: A 56 HIS : no HE2:sc= -0.0158 X(o=-0.016,f=-0.41) USER MOD Set 3.2: A 97 MET CE :methyl 174:sc= 0 (180deg=-0.0942) USER MOD Set 4.1: A 74 SER OG : rot 74:sc= 2.11 USER MOD Set 4.2: A 78 LYS NZ :NH3+ -126:sc= 1.38 (180deg=-0.619!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -108:sc= 1.24 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.783! K(o=-0.78!,f=-2.4) USER MOD Single : A 46 TYR OH : rot 165:sc= -0.135 USER MOD Single : A 48 SER OG : rot 139:sc= -1.36 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 51 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.3!) USER MOD Single : A 58 SER OG : rot 71:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 150:sc= -3.02 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.65! C(o=-1.7!,f=-2.8!) 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+ -177:sc= 0.898 (180deg=0.866) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 124:sc= 0.0478 USER MOD Single : A 89 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.9!) USER MOD Single : A 90 SER OG : rot 164:sc= -1.59 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00489 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.9!) USER MOD Single : B 27 SER OG : rot 133:sc= 0.835 USER MOD Single : B 31 LYS NZ :NH3+ 141:sc= -0.398 (180deg=-2.51!) USER MOD Single : B 32 LYS NZ :NH3+ -159:sc= -0.067 (180deg=-0.473) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 SER OG : rot -73:sc= -0.419 USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= 0.815 K(o=0.81,f=-2) USER MOD Single : B 48 SER OG : rot 84:sc= 0.838 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -0.647 K(o=-0.65,f=0.41) USER MOD Single : B 58 SER OG : rot 70:sc= 1.29 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -3.67! C(o=-3.7!,f=-8.7!) 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 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 LYS NZ :NH3+ -114:sc= 0.117 (180deg=-0.511!) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 54:sc= 0.0527 USER MOD Single : B 89 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 90 SER OG : rot -30:sc= -0.474 USER MOD Single : B 100 THR OG1 : rot -65:sc= -0.0316 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 141:sc= 1.24 (180deg=-0.456!) USER MOD Single : B 112 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.437 10.165 8.175 1.00 44.43 N ATOM 469 CA GLU A 33 -15.136 9.976 6.931 1.00 43.33 C ATOM 470 C GLU A 33 -14.461 8.986 6.011 1.00 54.42 C ATOM 471 O GLU A 33 -15.125 8.128 5.450 1.00 70.23 O ATOM 472 CB GLU A 33 -15.424 11.293 6.239 1.00 35.42 C ATOM 473 CG GLU A 33 -16.316 12.200 7.063 1.00 5.12 C ATOM 474 CD GLU A 33 -16.773 13.423 6.308 1.00 41.01 C ATOM 475 OE1 GLU A 33 -17.801 13.330 5.597 1.00 41.21 O ATOM 476 OE2 GLU A 33 -16.146 14.488 6.425 1.00 54.13 O ATOM 0 HA GLU A 33 -16.096 9.530 7.191 1.00 43.33 H new ATOM 0 HB2 GLU A 33 -14.484 11.804 6.032 1.00 35.42 H new ATOM 0 HB3 GLU A 33 -15.899 11.098 5.277 1.00 35.42 H new ATOM 0 HG2 GLU A 33 -17.189 11.638 7.395 1.00 5.12 H new ATOM 0 HG3 GLU A 33 -15.779 12.513 7.958 1.00 5.12 H new ATOM 483 N ILE A 34 -13.156 9.069 5.890 1.00 0.23 N ATOM 484 CA ILE A 34 -12.456 8.161 4.997 1.00 30.21 C ATOM 485 C ILE A 34 -12.449 6.732 5.531 1.00 32.33 C ATOM 486 O ILE A 34 -12.615 5.796 4.771 1.00 2.13 O ATOM 487 CB ILE A 34 -11.041 8.632 4.559 1.00 2.11 C ATOM 488 CG1 ILE A 34 -10.093 8.755 5.761 1.00 42.14 C ATOM 489 CG2 ILE A 34 -11.132 9.949 3.789 1.00 15.52 C ATOM 490 CD1 ILE A 34 -8.726 9.314 5.412 1.00 40.55 C ATOM 0 H ILE A 34 -12.565 9.738 6.384 1.00 0.23 H new ATOM 0 HA ILE A 34 -13.040 8.173 4.077 1.00 30.21 H new ATOM 0 HB ILE A 34 -10.623 7.875 3.895 1.00 2.11 H new ATOM 0 HG12 ILE A 34 -10.556 9.396 6.512 1.00 42.14 H new ATOM 0 HG13 ILE A 34 -9.968 7.772 6.214 1.00 42.14 H new ATOM 0 HG21 ILE A 34 -10.133 10.265 3.489 1.00 15.52 H new ATOM 0 HG22 ILE A 34 -11.750 9.810 2.902 1.00 15.52 H new ATOM 0 HG23 ILE A 34 -11.578 10.713 4.426 1.00 15.52 H new ATOM 0 HD11 ILE A 34 -8.115 9.370 6.313 1.00 40.55 H new ATOM 0 HD12 ILE A 34 -8.241 8.662 4.685 1.00 40.55 H new ATOM 0 HD13 ILE A 34 -8.838 10.311 4.987 1.00 40.55 H new ATOM 502 N ASP A 35 -12.349 6.589 6.868 1.00 2.12 N ATOM 503 CA ASP A 35 -12.346 5.269 7.529 1.00 64.14 C ATOM 504 C ASP A 35 -13.695 4.568 7.373 1.00 72.20 C ATOM 505 O ASP A 35 -13.779 3.333 7.361 1.00 65.42 O ATOM 506 CB ASP A 35 -12.028 5.393 9.042 1.00 63.21 C ATOM 507 CG ASP A 35 -10.541 5.462 9.419 1.00 63.10 C ATOM 508 OD1 ASP A 35 -9.909 6.553 9.339 1.00 43.31 O ATOM 509 OD2 ASP A 35 -10.012 4.431 9.910 1.00 33.45 O ATOM 0 H ASP A 35 -12.269 7.375 7.513 1.00 2.12 H new ATOM 0 HA ASP A 35 -11.569 4.680 7.042 1.00 64.14 H new ATOM 0 HB2 ASP A 35 -12.520 6.288 9.423 1.00 63.21 H new ATOM 0 HB3 ASP A 35 -12.473 4.541 9.556 1.00 63.21 H new ATOM 514 N LYS A 36 -14.754 5.364 7.268 1.00 73.23 N ATOM 515 CA LYS A 36 -16.120 4.842 7.116 1.00 64.55 C ATOM 516 C LYS A 36 -16.387 4.379 5.698 1.00 33.12 C ATOM 517 O LYS A 36 -17.403 3.724 5.424 1.00 1.02 O ATOM 518 CB LYS A 36 -17.183 5.884 7.545 1.00 40.22 C ATOM 519 CG LYS A 36 -17.172 6.227 9.034 1.00 35.34 C ATOM 520 CD LYS A 36 -18.211 7.299 9.409 1.00 22.53 C ATOM 521 CE LYS A 36 -17.974 8.625 8.710 1.00 4.33 C ATOM 522 NZ LYS A 36 -18.935 9.655 9.158 1.00 31.23 N ATOM 0 H LYS A 36 -14.698 6.382 7.285 1.00 73.23 H new ATOM 0 HA LYS A 36 -16.200 3.980 7.779 1.00 64.55 H new ATOM 0 HB2 LYS A 36 -17.027 6.799 6.974 1.00 40.22 H new ATOM 0 HB3 LYS A 36 -18.171 5.507 7.280 1.00 40.22 H new ATOM 0 HG2 LYS A 36 -17.365 5.323 9.611 1.00 35.34 H new ATOM 0 HG3 LYS A 36 -16.179 6.577 9.314 1.00 35.34 H new ATOM 0 HD2 LYS A 36 -19.207 6.935 9.158 1.00 22.53 H new ATOM 0 HD3 LYS A 36 -18.191 7.455 10.488 1.00 22.53 H new ATOM 0 HE2 LYS A 36 -16.957 8.965 8.908 1.00 4.33 H new ATOM 0 HE3 LYS A 36 -18.061 8.489 7.632 1.00 4.33 H new ATOM 0 HZ1 LYS A 36 -18.744 10.548 8.660 1.00 31.23 H new ATOM 0 HZ2 LYS A 36 -19.904 9.341 8.947 1.00 31.23 H new ATOM 0 HZ3 LYS A 36 -18.834 9.802 10.183 1.00 31.23 H new ATOM 536 N ARG A 37 -15.487 4.704 4.806 1.00 43.20 N ATOM 537 CA ARG A 37 -15.667 4.431 3.405 1.00 42.32 C ATOM 538 C ARG A 37 -14.590 3.488 2.899 1.00 4.11 C ATOM 539 O ARG A 37 -14.373 3.363 1.687 1.00 20.43 O ATOM 540 CB ARG A 37 -15.628 5.745 2.652 1.00 33.35 C ATOM 541 CG ARG A 37 -16.665 6.727 3.149 1.00 51.12 C ATOM 542 CD ARG A 37 -16.519 8.073 2.506 1.00 20.04 C ATOM 543 NE ARG A 37 -17.449 9.048 3.092 1.00 74.23 N ATOM 544 CZ ARG A 37 -17.209 10.356 3.191 1.00 43.54 C ATOM 545 NH1 ARG A 37 -16.096 10.865 2.697 1.00 45.14 N ATOM 546 NH2 ARG A 37 -18.089 11.149 3.773 1.00 3.45 N ATOM 0 H ARG A 37 -14.607 5.167 5.032 1.00 43.20 H new ATOM 0 HA ARG A 37 -16.629 3.944 3.245 1.00 42.32 H new ATOM 0 HB2 ARG A 37 -14.637 6.187 2.750 1.00 33.35 H new ATOM 0 HB3 ARG A 37 -15.789 5.557 1.591 1.00 33.35 H new ATOM 0 HG2 ARG A 37 -17.662 6.335 2.946 1.00 51.12 H new ATOM 0 HG3 ARG A 37 -16.577 6.831 4.230 1.00 51.12 H new ATOM 0 HD2 ARG A 37 -15.495 8.427 2.626 1.00 20.04 H new ATOM 0 HD3 ARG A 37 -16.704 7.989 1.435 1.00 20.04 H new ATOM 0 HE ARG A 37 -18.340 8.700 3.448 1.00 74.23 H new ATOM 0 HH11 ARG A 37 -15.417 10.258 2.238 1.00 45.14 H new ATOM 0 HH12 ARG A 37 -15.915 11.866 2.774 1.00 45.14 H new ATOM 0 HH21 ARG A 37 -18.955 10.762 4.148 1.00 3.45 H new ATOM 0 HH22 ARG A 37 -17.903 12.149 3.848 1.00 3.45 H new ATOM 560 N SER A 38 -13.953 2.799 3.814 1.00 20.52 N ATOM 561 CA SER A 38 -12.923 1.864 3.468 1.00 54.03 C ATOM 562 C SER A 38 -13.539 0.460 3.363 1.00 50.12 C ATOM 563 O SER A 38 -14.383 0.061 4.195 1.00 61.10 O ATOM 564 CB SER A 38 -11.861 1.853 4.582 1.00 72.24 C ATOM 565 OG SER A 38 -11.467 3.165 4.942 1.00 40.50 O ATOM 0 H SER A 38 -14.137 2.874 4.815 1.00 20.52 H new ATOM 0 HA SER A 38 -12.469 2.148 2.519 1.00 54.03 H new ATOM 0 HB2 SER A 38 -12.257 1.339 5.458 1.00 72.24 H new ATOM 0 HB3 SER A 38 -10.989 1.290 4.249 1.00 72.24 H new ATOM 0 HG SER A 38 -10.559 3.335 4.615 1.00 40.50 H new ATOM 571 N VAL A 39 -13.119 -0.287 2.371 1.00 52.12 N ATOM 572 CA VAL A 39 -13.603 -1.636 2.194 1.00 12.04 C ATOM 573 C VAL A 39 -12.441 -2.581 2.110 1.00 42.02 C ATOM 574 O VAL A 39 -11.321 -2.179 1.830 1.00 64.42 O ATOM 575 CB VAL A 39 -14.569 -1.864 0.968 1.00 50.33 C ATOM 576 CG1 VAL A 39 -15.814 -1.006 1.057 1.00 32.11 C ATOM 577 CG2 VAL A 39 -13.870 -1.675 -0.368 1.00 2.25 C ATOM 0 H VAL A 39 -12.441 0.017 1.672 1.00 52.12 H new ATOM 0 HA VAL A 39 -14.218 -1.833 3.072 1.00 12.04 H new ATOM 0 HB VAL A 39 -14.882 -2.907 1.022 1.00 50.33 H new ATOM 0 HG11 VAL A 39 -16.450 -1.196 0.192 1.00 32.11 H new ATOM 0 HG12 VAL A 39 -16.359 -1.250 1.969 1.00 32.11 H new ATOM 0 HG13 VAL A 39 -15.530 0.046 1.074 1.00 32.11 H new ATOM 0 HG21 VAL A 39 -14.580 -1.844 -1.177 1.00 2.25 H new ATOM 0 HG22 VAL A 39 -13.479 -0.660 -0.434 1.00 2.25 H new ATOM 0 HG23 VAL A 39 -13.048 -2.386 -0.452 1.00 2.25 H new ATOM 587 N TYR A 40 -12.721 -3.803 2.337 1.00 61.43 N ATOM 588 CA TYR A 40 -11.791 -4.868 2.321 1.00 75.23 C ATOM 589 C TYR A 40 -12.141 -5.779 1.196 1.00 22.33 C ATOM 590 O TYR A 40 -13.265 -6.253 1.102 1.00 35.13 O ATOM 591 CB TYR A 40 -11.844 -5.633 3.653 1.00 1.12 C ATOM 592 CG TYR A 40 -11.182 -7.009 3.630 1.00 40.12 C ATOM 593 CD1 TYR A 40 -9.807 -7.164 3.717 1.00 74.21 C ATOM 594 CD2 TYR A 40 -11.961 -8.157 3.525 1.00 63.12 C ATOM 595 CE1 TYR A 40 -9.229 -8.421 3.697 1.00 61.03 C ATOM 596 CE2 TYR A 40 -11.405 -9.405 3.506 1.00 60.44 C ATOM 597 CZ TYR A 40 -10.032 -9.541 3.591 1.00 32.32 C ATOM 598 OH TYR A 40 -9.466 -10.796 3.574 1.00 25.42 O ATOM 0 H TYR A 40 -13.669 -4.111 2.554 1.00 61.43 H new ATOM 0 HA TYR A 40 -10.781 -4.480 2.188 1.00 75.23 H new ATOM 0 HB2 TYR A 40 -11.364 -5.028 4.422 1.00 1.12 H new ATOM 0 HB3 TYR A 40 -12.887 -5.752 3.946 1.00 1.12 H new ATOM 0 HD1 TYR A 40 -9.178 -6.290 3.802 1.00 74.21 H new ATOM 0 HD2 TYR A 40 -13.034 -8.059 3.457 1.00 63.12 H new ATOM 0 HE1 TYR A 40 -8.156 -8.526 3.764 1.00 61.03 H new ATOM 0 HE2 TYR A 40 -12.034 -10.279 3.425 1.00 60.44 H new ATOM 0 HH TYR A 40 -10.171 -11.472 3.496 1.00 25.42 H new ATOM 608 N VAL A 41 -11.213 -5.972 0.351 1.00 71.21 N ATOM 609 CA VAL A 41 -11.313 -6.840 -0.761 1.00 24.34 C ATOM 610 C VAL A 41 -10.362 -7.988 -0.515 1.00 40.34 C ATOM 611 O VAL A 41 -9.153 -7.809 -0.550 1.00 1.13 O ATOM 612 CB VAL A 41 -10.877 -6.084 -2.024 1.00 30.22 C ATOM 613 CG1 VAL A 41 -10.876 -7.007 -3.244 1.00 50.11 C ATOM 614 CG2 VAL A 41 -11.805 -4.914 -2.267 1.00 21.42 C ATOM 0 H VAL A 41 -10.308 -5.505 0.414 1.00 71.21 H new ATOM 0 HA VAL A 41 -12.334 -7.199 -0.892 1.00 24.34 H new ATOM 0 HB VAL A 41 -9.862 -5.719 -1.871 1.00 30.22 H new ATOM 0 HG11 VAL A 41 -10.563 -6.446 -4.125 1.00 50.11 H new ATOM 0 HG12 VAL A 41 -10.184 -7.832 -3.075 1.00 50.11 H new ATOM 0 HG13 VAL A 41 -11.880 -7.401 -3.403 1.00 50.11 H new ATOM 0 HG21 VAL A 41 -11.491 -4.381 -3.164 1.00 21.42 H new ATOM 0 HG22 VAL A 41 -12.824 -5.279 -2.399 1.00 21.42 H new ATOM 0 HG23 VAL A 41 -11.770 -4.238 -1.413 1.00 21.42 H new ATOM 624 N GLY A 42 -10.880 -9.128 -0.233 1.00 72.45 N ATOM 625 CA GLY A 42 -10.031 -10.234 0.061 1.00 5.25 C ATOM 626 C GLY A 42 -9.849 -11.137 -1.118 1.00 2.21 C ATOM 627 O GLY A 42 -10.627 -11.085 -2.066 1.00 63.15 O ATOM 0 H GLY A 42 -11.880 -9.324 -0.198 1.00 72.45 H new ATOM 0 HA2 GLY A 42 -9.058 -9.866 0.388 1.00 5.25 H new ATOM 0 HA3 GLY A 42 -10.452 -10.803 0.890 1.00 5.25 H new ATOM 631 N ASN A 43 -8.824 -11.964 -1.032 1.00 11.04 N ATOM 632 CA ASN A 43 -8.439 -12.969 -2.042 1.00 21.10 C ATOM 633 C ASN A 43 -8.159 -12.361 -3.452 1.00 20.11 C ATOM 634 O ASN A 43 -8.171 -13.069 -4.453 1.00 44.24 O ATOM 635 CB ASN A 43 -9.497 -14.102 -2.095 1.00 65.25 C ATOM 636 CG ASN A 43 -9.040 -15.325 -2.886 1.00 1.40 C ATOM 637 OD1 ASN A 43 -7.838 -15.631 -2.952 1.00 22.00 O ATOM 638 ND2 ASN A 43 -9.973 -16.040 -3.457 1.00 72.43 N ATOM 0 H ASN A 43 -8.200 -11.965 -0.225 1.00 11.04 H new ATOM 0 HA ASN A 43 -7.486 -13.393 -1.726 1.00 21.10 H new ATOM 0 HB2 ASN A 43 -9.742 -14.408 -1.078 1.00 65.25 H new ATOM 0 HB3 ASN A 43 -10.413 -13.713 -2.540 1.00 65.25 H new ATOM 0 HD21 ASN A 43 -9.724 -16.881 -3.978 1.00 72.43 H new ATOM 0 HD22 ASN A 43 -10.950 -15.757 -3.381 1.00 72.43 H new ATOM 645 N VAL A 44 -7.866 -11.055 -3.503 1.00 4.33 N ATOM 646 CA VAL A 44 -7.496 -10.380 -4.769 1.00 53.41 C ATOM 647 C VAL A 44 -6.335 -11.107 -5.420 1.00 32.51 C ATOM 648 O VAL A 44 -5.376 -11.532 -4.747 1.00 62.42 O ATOM 649 CB VAL A 44 -7.179 -8.855 -4.569 1.00 3.32 C ATOM 650 CG1 VAL A 44 -5.953 -8.623 -3.721 1.00 21.45 C ATOM 651 CG2 VAL A 44 -7.060 -8.140 -5.894 1.00 13.21 C ATOM 0 H VAL A 44 -7.876 -10.440 -2.689 1.00 4.33 H new ATOM 0 HA VAL A 44 -8.359 -10.424 -5.433 1.00 53.41 H new ATOM 0 HB VAL A 44 -8.025 -8.433 -4.026 1.00 3.32 H new ATOM 0 HG11 VAL A 44 -5.781 -7.552 -3.616 1.00 21.45 H new ATOM 0 HG12 VAL A 44 -6.103 -9.065 -2.736 1.00 21.45 H new ATOM 0 HG13 VAL A 44 -5.088 -9.084 -4.198 1.00 21.45 H new ATOM 0 HG21 VAL A 44 -6.840 -7.087 -5.721 1.00 13.21 H new ATOM 0 HG22 VAL A 44 -6.255 -8.587 -6.478 1.00 13.21 H new ATOM 0 HG23 VAL A 44 -7.998 -8.230 -6.441 1.00 13.21 H new ATOM 661 N ASP A 45 -6.452 -11.302 -6.706 1.00 2.23 N ATOM 662 CA ASP A 45 -5.476 -12.036 -7.449 1.00 15.02 C ATOM 663 C ASP A 45 -4.260 -11.166 -7.609 1.00 2.34 C ATOM 664 O ASP A 45 -4.373 -9.943 -7.688 1.00 33.21 O ATOM 665 CB ASP A 45 -6.051 -12.437 -8.814 1.00 2.20 C ATOM 666 CG ASP A 45 -5.156 -13.371 -9.606 1.00 1.40 C ATOM 667 OD1 ASP A 45 -4.225 -12.904 -10.260 1.00 73.51 O ATOM 668 OD2 ASP A 45 -5.407 -14.579 -9.609 1.00 41.53 O ATOM 0 H ASP A 45 -7.231 -10.953 -7.265 1.00 2.23 H new ATOM 0 HA ASP A 45 -5.202 -12.951 -6.924 1.00 15.02 H new ATOM 0 HB2 ASP A 45 -7.018 -12.917 -8.663 1.00 2.20 H new ATOM 0 HB3 ASP A 45 -6.230 -11.536 -9.401 1.00 2.20 H new ATOM 673 N TYR A 46 -3.114 -11.776 -7.669 1.00 34.41 N ATOM 674 CA TYR A 46 -1.871 -11.038 -7.739 1.00 12.13 C ATOM 675 C TYR A 46 -1.760 -10.357 -9.128 1.00 35.14 C ATOM 676 O TYR A 46 -0.959 -9.439 -9.348 1.00 60.14 O ATOM 677 CB TYR A 46 -0.703 -11.997 -7.492 1.00 60.52 C ATOM 678 CG TYR A 46 0.559 -11.335 -6.991 1.00 2.14 C ATOM 679 CD1 TYR A 46 1.367 -10.590 -7.821 1.00 33.12 C ATOM 680 CD2 TYR A 46 0.935 -11.465 -5.662 1.00 15.53 C ATOM 681 CE1 TYR A 46 2.504 -9.988 -7.345 1.00 51.55 C ATOM 682 CE2 TYR A 46 2.076 -10.867 -5.183 1.00 64.00 C ATOM 683 CZ TYR A 46 2.856 -10.129 -6.032 1.00 23.02 C ATOM 684 OH TYR A 46 3.990 -9.523 -5.566 1.00 11.44 O ATOM 0 H TYR A 46 -3.005 -12.790 -7.671 1.00 34.41 H new ATOM 0 HA TYR A 46 -1.844 -10.261 -6.975 1.00 12.13 H new ATOM 0 HB2 TYR A 46 -1.015 -12.750 -6.768 1.00 60.52 H new ATOM 0 HB3 TYR A 46 -0.478 -12.522 -8.421 1.00 60.52 H new ATOM 0 HD1 TYR A 46 1.102 -10.478 -8.862 1.00 33.12 H new ATOM 0 HD2 TYR A 46 0.320 -12.047 -4.992 1.00 15.53 H new ATOM 0 HE1 TYR A 46 3.122 -9.402 -8.009 1.00 51.55 H new ATOM 0 HE2 TYR A 46 2.355 -10.978 -4.146 1.00 64.00 H new ATOM 0 HH TYR A 46 3.977 -9.513 -4.586 1.00 11.44 H new ATOM 694 N GLY A 47 -2.587 -10.819 -10.055 1.00 34.32 N ATOM 695 CA GLY A 47 -2.635 -10.263 -11.368 1.00 21.23 C ATOM 696 C GLY A 47 -3.473 -9.005 -11.429 1.00 23.23 C ATOM 697 O GLY A 47 -3.446 -8.290 -12.443 1.00 24.22 O ATOM 0 H GLY A 47 -3.237 -11.590 -9.902 1.00 34.32 H new ATOM 0 HA2 GLY A 47 -1.622 -10.039 -11.702 1.00 21.23 H new ATOM 0 HA3 GLY A 47 -3.042 -11.002 -12.058 1.00 21.23 H new ATOM 701 N SER A 48 -4.226 -8.722 -10.366 1.00 22.03 N ATOM 702 CA SER A 48 -5.017 -7.541 -10.333 1.00 52.21 C ATOM 703 C SER A 48 -4.124 -6.316 -10.106 1.00 52.12 C ATOM 704 O SER A 48 -3.372 -6.234 -9.123 1.00 63.43 O ATOM 705 CB SER A 48 -6.050 -7.683 -9.254 1.00 51.22 C ATOM 706 OG SER A 48 -6.799 -8.870 -9.472 1.00 13.44 O ATOM 0 H SER A 48 -4.290 -9.305 -9.532 1.00 22.03 H new ATOM 0 HA SER A 48 -5.526 -7.399 -11.286 1.00 52.21 H new ATOM 0 HB2 SER A 48 -5.569 -7.718 -8.277 1.00 51.22 H new ATOM 0 HB3 SER A 48 -6.712 -6.817 -9.253 1.00 51.22 H new ATOM 0 HG SER A 48 -6.955 -9.321 -8.616 1.00 13.44 H new ATOM 712 N THR A 49 -4.195 -5.399 -11.024 1.00 50.43 N ATOM 713 CA THR A 49 -3.409 -4.203 -10.999 1.00 2.22 C ATOM 714 C THR A 49 -4.269 -3.060 -10.492 1.00 64.24 C ATOM 715 O THR A 49 -5.485 -3.235 -10.342 1.00 11.20 O ATOM 716 CB THR A 49 -2.933 -3.901 -12.418 1.00 74.24 C ATOM 717 OG1 THR A 49 -4.081 -3.783 -13.274 1.00 5.22 O ATOM 718 CG2 THR A 49 -2.051 -5.032 -12.925 1.00 51.31 C ATOM 0 H THR A 49 -4.816 -5.464 -11.830 1.00 50.43 H new ATOM 0 HA THR A 49 -2.548 -4.327 -10.343 1.00 2.22 H new ATOM 0 HB THR A 49 -2.360 -2.974 -12.418 1.00 74.24 H new ATOM 0 HG1 THR A 49 -3.788 -3.587 -14.189 1.00 5.22 H new ATOM 0 HG21 THR A 49 -1.717 -4.807 -13.938 1.00 51.31 H new ATOM 0 HG22 THR A 49 -1.185 -5.138 -12.272 1.00 51.31 H new ATOM 0 HG23 THR A 49 -2.619 -5.962 -12.929 1.00 51.31 H new ATOM 726 N ALA A 50 -3.677 -1.894 -10.235 1.00 54.42 N ATOM 727 CA ALA A 50 -4.431 -0.755 -9.739 1.00 62.34 C ATOM 728 C ALA A 50 -5.539 -0.364 -10.708 1.00 70.22 C ATOM 729 O ALA A 50 -6.680 -0.224 -10.308 1.00 71.32 O ATOM 730 CB ALA A 50 -3.496 0.422 -9.487 1.00 11.24 C ATOM 0 H ALA A 50 -2.680 -1.719 -10.363 1.00 54.42 H new ATOM 0 HA ALA A 50 -4.900 -1.039 -8.797 1.00 62.34 H new ATOM 0 HB1 ALA A 50 -4.071 1.270 -9.116 1.00 11.24 H new ATOM 0 HB2 ALA A 50 -2.747 0.140 -8.747 1.00 11.24 H new ATOM 0 HB3 ALA A 50 -3.001 0.699 -10.418 1.00 11.24 H new ATOM 736 N GLN A 51 -5.191 -0.210 -11.979 1.00 11.32 N ATOM 737 CA GLN A 51 -6.167 0.131 -13.024 1.00 73.23 C ATOM 738 C GLN A 51 -7.304 -0.878 -13.119 1.00 22.44 C ATOM 739 O GLN A 51 -8.471 -0.483 -13.244 1.00 24.43 O ATOM 740 CB GLN A 51 -5.478 0.267 -14.385 1.00 24.35 C ATOM 741 CG GLN A 51 -4.628 1.514 -14.532 1.00 54.32 C ATOM 742 CD GLN A 51 -5.477 2.768 -14.579 1.00 1.15 C ATOM 743 OE1 GLN A 51 -5.783 3.367 -13.557 1.00 10.45 O ATOM 744 NE2 GLN A 51 -5.855 3.175 -15.765 1.00 24.15 N ATOM 0 H GLN A 51 -4.235 -0.315 -12.320 1.00 11.32 H new ATOM 0 HA GLN A 51 -6.603 1.088 -12.739 1.00 73.23 H new ATOM 0 HB2 GLN A 51 -4.850 -0.608 -14.550 1.00 24.35 H new ATOM 0 HB3 GLN A 51 -6.238 0.266 -15.166 1.00 24.35 H new ATOM 0 HG2 GLN A 51 -3.929 1.579 -13.698 1.00 54.32 H new ATOM 0 HG3 GLN A 51 -4.032 1.443 -15.442 1.00 54.32 H new ATOM 0 HE21 GLN A 51 -5.581 2.650 -16.596 1.00 24.15 H new ATOM 0 HE22 GLN A 51 -6.423 4.017 -15.858 1.00 24.15 H new ATOM 753 N ASP A 52 -6.973 -2.159 -13.028 1.00 63.52 N ATOM 754 CA ASP A 52 -7.982 -3.220 -13.132 1.00 60.55 C ATOM 755 C ASP A 52 -8.924 -3.173 -11.936 1.00 31.43 C ATOM 756 O ASP A 52 -10.144 -3.287 -12.078 1.00 41.14 O ATOM 757 CB ASP A 52 -7.318 -4.598 -13.217 1.00 70.20 C ATOM 758 CG ASP A 52 -8.312 -5.716 -13.472 1.00 54.45 C ATOM 759 OD1 ASP A 52 -8.877 -6.272 -12.514 1.00 62.22 O ATOM 760 OD2 ASP A 52 -8.531 -6.068 -14.655 1.00 3.00 O ATOM 0 H ASP A 52 -6.020 -2.494 -12.883 1.00 63.52 H new ATOM 0 HA ASP A 52 -8.555 -3.054 -14.044 1.00 60.55 H new ATOM 0 HB2 ASP A 52 -6.575 -4.590 -14.015 1.00 70.20 H new ATOM 0 HB3 ASP A 52 -6.785 -4.797 -12.287 1.00 70.20 H new ATOM 765 N LEU A 53 -8.355 -2.943 -10.768 1.00 73.05 N ATOM 766 CA LEU A 53 -9.119 -2.885 -9.534 1.00 74.30 C ATOM 767 C LEU A 53 -9.970 -1.634 -9.457 1.00 72.32 C ATOM 768 O LEU A 53 -11.175 -1.699 -9.157 1.00 1.42 O ATOM 769 CB LEU A 53 -8.155 -2.918 -8.339 1.00 30.41 C ATOM 770 CG LEU A 53 -7.526 -4.259 -8.017 1.00 75.12 C ATOM 771 CD1 LEU A 53 -6.416 -4.085 -6.996 1.00 3.41 C ATOM 772 CD2 LEU A 53 -8.580 -5.182 -7.466 1.00 22.45 C ATOM 0 H LEU A 53 -7.354 -2.791 -10.647 1.00 73.05 H new ATOM 0 HA LEU A 53 -9.786 -3.747 -9.511 1.00 74.30 H new ATOM 0 HB2 LEU A 53 -7.355 -2.201 -8.526 1.00 30.41 H new ATOM 0 HB3 LEU A 53 -8.693 -2.572 -7.456 1.00 30.41 H new ATOM 0 HG LEU A 53 -7.103 -4.684 -8.927 1.00 75.12 H new ATOM 0 HD11 LEU A 53 -5.972 -5.055 -6.773 1.00 3.41 H new ATOM 0 HD12 LEU A 53 -5.652 -3.420 -7.399 1.00 3.41 H new ATOM 0 HD13 LEU A 53 -6.826 -3.655 -6.082 1.00 3.41 H new ATOM 0 HD21 LEU A 53 -8.132 -6.148 -7.233 1.00 22.45 H new ATOM 0 HD22 LEU A 53 -9.004 -4.750 -6.559 1.00 22.45 H new ATOM 0 HD23 LEU A 53 -9.369 -5.317 -8.206 1.00 22.45 H new ATOM 784 N GLU A 54 -9.356 -0.505 -9.739 1.00 50.42 N ATOM 785 CA GLU A 54 -9.996 0.788 -9.679 1.00 34.34 C ATOM 786 C GLU A 54 -11.188 0.861 -10.627 1.00 11.13 C ATOM 787 O GLU A 54 -12.263 1.225 -10.213 1.00 42.41 O ATOM 788 CB GLU A 54 -8.898 1.820 -9.999 1.00 62.32 C ATOM 789 CG GLU A 54 -9.171 3.303 -9.739 1.00 13.11 C ATOM 790 CD GLU A 54 -10.091 3.969 -10.716 1.00 71.41 C ATOM 791 OE1 GLU A 54 -10.048 3.614 -11.921 1.00 15.32 O ATOM 792 OE2 GLU A 54 -10.784 4.924 -10.319 1.00 64.35 O ATOM 0 H GLU A 54 -8.377 -0.461 -10.022 1.00 50.42 H new ATOM 0 HA GLU A 54 -10.419 0.989 -8.695 1.00 34.34 H new ATOM 0 HB2 GLU A 54 -8.012 1.544 -9.428 1.00 62.32 H new ATOM 0 HB3 GLU A 54 -8.644 1.713 -11.054 1.00 62.32 H new ATOM 0 HG2 GLU A 54 -9.593 3.407 -8.739 1.00 13.11 H new ATOM 0 HG3 GLU A 54 -8.220 3.836 -9.741 1.00 13.11 H new ATOM 799 N ALA A 55 -11.004 0.460 -11.871 1.00 30.24 N ATOM 800 CA ALA A 55 -12.112 0.456 -12.842 1.00 52.14 C ATOM 801 C ALA A 55 -13.271 -0.417 -12.356 1.00 1.11 C ATOM 802 O ALA A 55 -14.474 -0.013 -12.409 1.00 10.03 O ATOM 803 CB ALA A 55 -11.631 -0.022 -14.206 1.00 65.02 C ATOM 0 H ALA A 55 -10.112 0.134 -12.242 1.00 30.24 H new ATOM 0 HA ALA A 55 -12.473 1.480 -12.936 1.00 52.14 H new ATOM 0 HB1 ALA A 55 -12.465 -0.017 -14.908 1.00 65.02 H new ATOM 0 HB2 ALA A 55 -10.847 0.643 -14.569 1.00 65.02 H new ATOM 0 HB3 ALA A 55 -11.236 -1.034 -14.118 1.00 65.02 H new ATOM 809 N HIS A 56 -12.908 -1.573 -11.822 1.00 13.21 N ATOM 810 CA HIS A 56 -13.870 -2.579 -11.391 1.00 62.13 C ATOM 811 C HIS A 56 -14.731 -2.042 -10.250 1.00 72.03 C ATOM 812 O HIS A 56 -15.942 -2.224 -10.232 1.00 65.42 O ATOM 813 CB HIS A 56 -13.130 -3.857 -10.963 1.00 64.32 C ATOM 814 CG HIS A 56 -14.016 -5.043 -10.711 1.00 41.54 C ATOM 815 ND1 HIS A 56 -14.238 -6.014 -11.648 1.00 14.14 N ATOM 816 CD2 HIS A 56 -14.716 -5.421 -9.621 1.00 41.44 C ATOM 817 CE1 HIS A 56 -15.034 -6.932 -11.161 1.00 54.14 C ATOM 818 NE2 HIS A 56 -15.341 -6.601 -9.928 1.00 61.21 N ATOM 0 H HIS A 56 -11.935 -1.842 -11.674 1.00 13.21 H new ATOM 0 HA HIS A 56 -14.530 -2.820 -12.225 1.00 62.13 H new ATOM 0 HB2 HIS A 56 -12.408 -4.118 -11.737 1.00 64.32 H new ATOM 0 HB3 HIS A 56 -12.563 -3.645 -10.056 1.00 64.32 H new ATOM 0 HD1 HIS A 56 -13.842 -6.022 -12.588 1.00 14.14 H new ATOM 0 HD2 HIS A 56 -14.773 -4.892 -8.681 1.00 41.44 H new ATOM 0 HE1 HIS A 56 -15.379 -7.812 -11.684 1.00 54.14 H new ATOM 827 N PHE A 57 -14.098 -1.380 -9.312 1.00 52.41 N ATOM 828 CA PHE A 57 -14.782 -0.793 -8.178 1.00 54.32 C ATOM 829 C PHE A 57 -15.427 0.555 -8.481 1.00 63.44 C ATOM 830 O PHE A 57 -16.342 0.979 -7.793 1.00 23.23 O ATOM 831 CB PHE A 57 -13.933 -0.787 -6.919 1.00 63.35 C ATOM 832 CG PHE A 57 -14.019 -2.076 -6.147 1.00 21.24 C ATOM 833 CD1 PHE A 57 -13.164 -3.129 -6.377 1.00 74.45 C ATOM 834 CD2 PHE A 57 -14.981 -2.213 -5.183 1.00 1.44 C ATOM 835 CE1 PHE A 57 -13.278 -4.298 -5.642 1.00 11.55 C ATOM 836 CE2 PHE A 57 -15.100 -3.368 -4.452 1.00 40.13 C ATOM 837 CZ PHE A 57 -14.249 -4.408 -4.681 1.00 45.21 C ATOM 0 H PHE A 57 -13.089 -1.231 -9.311 1.00 52.41 H new ATOM 0 HA PHE A 57 -15.620 -1.458 -7.968 1.00 54.32 H new ATOM 0 HB2 PHE A 57 -12.894 -0.600 -7.189 1.00 63.35 H new ATOM 0 HB3 PHE A 57 -14.249 0.036 -6.278 1.00 63.35 H new ATOM 0 HD1 PHE A 57 -12.399 -3.044 -7.135 1.00 74.45 H new ATOM 0 HD2 PHE A 57 -15.660 -1.395 -4.994 1.00 1.44 H new ATOM 0 HE1 PHE A 57 -12.603 -5.121 -5.826 1.00 11.55 H new ATOM 0 HE2 PHE A 57 -15.867 -3.453 -3.696 1.00 40.13 H new ATOM 0 HZ PHE A 57 -14.340 -5.318 -4.106 1.00 45.21 H new ATOM 847 N SER A 58 -14.948 1.217 -9.521 1.00 32.11 N ATOM 848 CA SER A 58 -15.483 2.530 -9.920 1.00 31.35 C ATOM 849 C SER A 58 -16.896 2.406 -10.407 1.00 4.02 C ATOM 850 O SER A 58 -17.663 3.373 -10.384 1.00 55.13 O ATOM 851 CB SER A 58 -14.635 3.210 -10.983 1.00 55.43 C ATOM 852 OG SER A 58 -13.374 3.566 -10.477 1.00 53.23 O ATOM 0 H SER A 58 -14.189 0.876 -10.111 1.00 32.11 H new ATOM 0 HA SER A 58 -15.458 3.155 -9.027 1.00 31.35 H new ATOM 0 HB2 SER A 58 -14.512 2.542 -11.836 1.00 55.43 H new ATOM 0 HB3 SER A 58 -15.148 4.100 -11.347 1.00 55.43 H new ATOM 0 HG SER A 58 -12.841 2.757 -10.327 1.00 53.23 H new ATOM 858 N SER A 59 -17.254 1.226 -10.877 1.00 62.24 N ATOM 859 CA SER A 59 -18.623 0.966 -11.243 1.00 50.10 C ATOM 860 C SER A 59 -19.569 1.186 -10.020 1.00 72.22 C ATOM 861 O SER A 59 -20.739 1.524 -10.175 1.00 31.33 O ATOM 862 CB SER A 59 -18.721 -0.462 -11.765 1.00 61.11 C ATOM 863 OG SER A 59 -17.800 -0.645 -12.836 1.00 43.34 O ATOM 0 H SER A 59 -16.617 0.441 -11.012 1.00 62.24 H new ATOM 0 HA SER A 59 -18.938 1.658 -12.024 1.00 50.10 H new ATOM 0 HB2 SER A 59 -18.506 -1.168 -10.963 1.00 61.11 H new ATOM 0 HB3 SER A 59 -19.736 -0.666 -12.106 1.00 61.11 H new ATOM 0 HG SER A 59 -17.864 -1.565 -13.169 1.00 43.34 H new ATOM 869 N CYS A 60 -19.025 1.025 -8.819 1.00 74.00 N ATOM 870 CA CYS A 60 -19.775 1.201 -7.590 1.00 41.24 C ATOM 871 C CYS A 60 -19.707 2.649 -7.043 1.00 30.21 C ATOM 872 O CYS A 60 -20.375 2.970 -6.060 1.00 40.33 O ATOM 873 CB CYS A 60 -19.240 0.237 -6.552 1.00 31.02 C ATOM 874 SG CYS A 60 -19.255 -1.479 -7.093 1.00 54.31 S ATOM 0 H CYS A 60 -18.049 0.768 -8.674 1.00 74.00 H new ATOM 0 HA CYS A 60 -20.823 0.998 -7.809 1.00 41.24 H new ATOM 0 HB2 CYS A 60 -18.219 0.520 -6.296 1.00 31.02 H new ATOM 0 HB3 CYS A 60 -19.834 0.328 -5.642 1.00 31.02 H new ATOM 0 HG CYS A 60 -18.280 -2.123 -6.522 1.00 54.31 H new ATOM 880 N GLY A 61 -18.959 3.517 -7.693 1.00 11.21 N ATOM 881 CA GLY A 61 -18.828 4.872 -7.182 1.00 52.41 C ATOM 882 C GLY A 61 -17.458 5.477 -7.393 1.00 13.13 C ATOM 883 O GLY A 61 -16.674 4.989 -8.209 1.00 5.22 O ATOM 0 H GLY A 61 -18.445 3.321 -8.552 1.00 11.21 H new ATOM 0 HA2 GLY A 61 -19.572 5.505 -7.665 1.00 52.41 H new ATOM 0 HA3 GLY A 61 -19.054 4.871 -6.116 1.00 52.41 H new ATOM 887 N SER A 62 -17.159 6.523 -6.649 1.00 44.52 N ATOM 888 CA SER A 62 -15.910 7.234 -6.798 1.00 14.25 C ATOM 889 C SER A 62 -14.888 6.775 -5.778 1.00 33.01 C ATOM 890 O SER A 62 -15.100 6.869 -4.557 1.00 21.33 O ATOM 891 CB SER A 62 -16.141 8.732 -6.675 1.00 42.25 C ATOM 892 OG SER A 62 -17.086 9.171 -7.638 1.00 1.44 O ATOM 0 H SER A 62 -17.773 6.901 -5.928 1.00 44.52 H new ATOM 0 HA SER A 62 -15.515 7.014 -7.790 1.00 14.25 H new ATOM 0 HB2 SER A 62 -16.498 8.970 -5.673 1.00 42.25 H new ATOM 0 HB3 SER A 62 -15.199 9.263 -6.813 1.00 42.25 H new ATOM 0 HG SER A 62 -17.224 10.137 -7.544 1.00 1.44 H new ATOM 898 N ILE A 63 -13.798 6.282 -6.278 1.00 31.53 N ATOM 899 CA ILE A 63 -12.721 5.805 -5.473 1.00 25.32 C ATOM 900 C ILE A 63 -11.832 6.950 -5.010 1.00 63.30 C ATOM 901 O ILE A 63 -11.405 7.789 -5.802 1.00 43.40 O ATOM 902 CB ILE A 63 -11.897 4.762 -6.241 1.00 71.52 C ATOM 903 CG1 ILE A 63 -12.775 3.546 -6.571 1.00 70.23 C ATOM 904 CG2 ILE A 63 -10.643 4.376 -5.496 1.00 1.35 C ATOM 905 CD1 ILE A 63 -12.057 2.425 -7.272 1.00 30.55 C ATOM 0 H ILE A 63 -13.630 6.199 -7.281 1.00 31.53 H new ATOM 0 HA ILE A 63 -13.147 5.331 -4.589 1.00 25.32 H new ATOM 0 HB ILE A 63 -11.563 5.205 -7.179 1.00 71.52 H new ATOM 0 HG12 ILE A 63 -13.204 3.162 -5.645 1.00 70.23 H new ATOM 0 HG13 ILE A 63 -13.606 3.874 -7.195 1.00 70.23 H new ATOM 0 HG21 ILE A 63 -10.089 3.636 -6.074 1.00 1.35 H new ATOM 0 HG22 ILE A 63 -10.022 5.259 -5.347 1.00 1.35 H new ATOM 0 HG23 ILE A 63 -10.911 3.953 -4.528 1.00 1.35 H new ATOM 0 HD11 ILE A 63 -12.755 1.610 -7.465 1.00 30.55 H new ATOM 0 HD12 ILE A 63 -11.652 2.787 -8.217 1.00 30.55 H new ATOM 0 HD13 ILE A 63 -11.243 2.065 -6.643 1.00 30.55 H new ATOM 917 N ASN A 64 -11.586 6.974 -3.733 1.00 33.34 N ATOM 918 CA ASN A 64 -10.757 7.981 -3.105 1.00 43.23 C ATOM 919 C ASN A 64 -9.314 7.478 -3.009 1.00 51.31 C ATOM 920 O ASN A 64 -8.354 8.227 -3.217 1.00 31.13 O ATOM 921 CB ASN A 64 -11.345 8.313 -1.721 1.00 12.03 C ATOM 922 CG ASN A 64 -10.623 9.411 -0.986 1.00 72.44 C ATOM 923 OD1 ASN A 64 -9.961 10.218 -1.567 1.00 13.31 O ATOM 924 ND2 ASN A 64 -10.848 9.509 0.277 1.00 33.33 N ATOM 0 H ASN A 64 -11.959 6.285 -3.080 1.00 33.34 H new ATOM 0 HA ASN A 64 -10.743 8.894 -3.701 1.00 43.23 H new ATOM 0 HB2 ASN A 64 -12.390 8.600 -1.843 1.00 12.03 H new ATOM 0 HB3 ASN A 64 -11.331 7.412 -1.108 1.00 12.03 H new ATOM 0 HD21 ASN A 64 -10.458 10.289 0.806 1.00 33.33 H new ATOM 0 HD22 ASN A 64 -11.417 8.807 0.750 1.00 33.33 H new ATOM 931 N ARG A 65 -9.180 6.197 -2.750 1.00 71.40 N ATOM 932 CA ARG A 65 -7.886 5.538 -2.621 1.00 23.52 C ATOM 933 C ARG A 65 -8.045 4.061 -2.880 1.00 15.23 C ATOM 934 O ARG A 65 -9.150 3.530 -2.792 1.00 22.24 O ATOM 935 CB ARG A 65 -7.339 5.640 -1.202 1.00 2.43 C ATOM 936 CG ARG A 65 -6.999 6.988 -0.645 1.00 45.10 C ATOM 937 CD ARG A 65 -6.515 6.750 0.745 1.00 12.33 C ATOM 938 NE ARG A 65 -6.118 7.926 1.473 1.00 41.13 N ATOM 939 CZ ARG A 65 -5.926 7.895 2.779 1.00 72.25 C ATOM 940 NH1 ARG A 65 -6.300 6.811 3.469 1.00 12.13 N ATOM 941 NH2 ARG A 65 -5.401 8.943 3.403 1.00 22.51 N ATOM 0 H ARG A 65 -9.973 5.569 -2.620 1.00 71.40 H new ATOM 0 HA ARG A 65 -7.216 6.025 -3.330 1.00 23.52 H new ATOM 0 HB2 ARG A 65 -8.071 5.184 -0.535 1.00 2.43 H new ATOM 0 HB3 ARG A 65 -6.438 5.028 -1.153 1.00 2.43 H new ATOM 0 HG2 ARG A 65 -6.232 7.476 -1.247 1.00 45.10 H new ATOM 0 HG3 ARG A 65 -7.871 7.642 -0.648 1.00 45.10 H new ATOM 0 HD2 ARG A 65 -7.304 6.247 1.304 1.00 12.33 H new ATOM 0 HD3 ARG A 65 -5.667 6.066 0.704 1.00 12.33 H new ATOM 0 HE ARG A 65 -5.982 8.802 0.969 1.00 41.13 H new ATOM 0 HH11 ARG A 65 -6.728 6.021 2.986 1.00 12.13 H new ATOM 0 HH12 ARG A 65 -6.157 6.775 4.478 1.00 12.13 H new ATOM 0 HH21 ARG A 65 -5.144 9.776 2.873 1.00 22.51 H new ATOM 0 HH22 ARG A 65 -5.254 8.915 4.412 1.00 22.51 H new ATOM 955 N ILE A 66 -6.950 3.393 -3.152 1.00 12.54 N ATOM 956 CA ILE A 66 -6.940 1.948 -3.240 1.00 12.12 C ATOM 957 C ILE A 66 -5.636 1.473 -2.651 1.00 0.53 C ATOM 958 O ILE A 66 -4.590 2.095 -2.862 1.00 41.53 O ATOM 959 CB ILE A 66 -7.146 1.302 -4.670 1.00 73.34 C ATOM 960 CG1 ILE A 66 -5.999 1.567 -5.609 1.00 42.22 C ATOM 961 CG2 ILE A 66 -8.435 1.756 -5.313 1.00 2.33 C ATOM 962 CD1 ILE A 66 -6.134 0.811 -6.923 1.00 71.21 C ATOM 0 H ILE A 66 -6.044 3.831 -3.318 1.00 12.54 H new ATOM 0 HA ILE A 66 -7.822 1.615 -2.692 1.00 12.12 H new ATOM 0 HB ILE A 66 -7.193 0.227 -4.493 1.00 73.34 H new ATOM 0 HG12 ILE A 66 -5.941 2.636 -5.813 1.00 42.22 H new ATOM 0 HG13 ILE A 66 -5.065 1.283 -5.125 1.00 42.22 H new ATOM 0 HG21 ILE A 66 -8.537 1.289 -6.293 1.00 2.33 H new ATOM 0 HG22 ILE A 66 -9.277 1.467 -4.684 1.00 2.33 H new ATOM 0 HG23 ILE A 66 -8.423 2.840 -5.427 1.00 2.33 H new ATOM 0 HD11 ILE A 66 -5.281 1.038 -7.563 1.00 71.21 H new ATOM 0 HD12 ILE A 66 -6.164 -0.260 -6.725 1.00 71.21 H new ATOM 0 HD13 ILE A 66 -7.054 1.113 -7.424 1.00 71.21 H new ATOM 974 N THR A 67 -5.710 0.443 -1.893 1.00 11.24 N ATOM 975 CA THR A 67 -4.575 -0.129 -1.235 1.00 41.40 C ATOM 976 C THR A 67 -4.534 -1.593 -1.590 1.00 51.32 C ATOM 977 O THR A 67 -5.539 -2.261 -1.500 1.00 61.04 O ATOM 978 CB THR A 67 -4.705 0.053 0.288 1.00 61.55 C ATOM 979 OG1 THR A 67 -4.891 1.442 0.579 1.00 45.50 O ATOM 980 CG2 THR A 67 -3.470 -0.444 1.009 1.00 32.12 C ATOM 0 H THR A 67 -6.584 -0.047 -1.702 1.00 11.24 H new ATOM 0 HA THR A 67 -3.655 0.362 -1.553 1.00 41.40 H new ATOM 0 HB THR A 67 -5.560 -0.529 0.632 1.00 61.55 H new ATOM 0 HG1 THR A 67 -4.976 1.565 1.548 1.00 45.50 H new ATOM 0 HG21 THR A 67 -3.593 -0.301 2.083 1.00 32.12 H new ATOM 0 HG22 THR A 67 -3.327 -1.504 0.798 1.00 32.12 H new ATOM 0 HG23 THR A 67 -2.599 0.115 0.666 1.00 32.12 H new ATOM 988 N ILE A 68 -3.407 -2.079 -2.003 1.00 51.35 N ATOM 989 CA ILE A 68 -3.283 -3.455 -2.423 1.00 13.45 C ATOM 990 C ILE A 68 -2.167 -4.064 -1.631 1.00 13.30 C ATOM 991 O ILE A 68 -1.044 -3.590 -1.710 1.00 50.33 O ATOM 992 CB ILE A 68 -2.833 -3.528 -3.882 1.00 42.54 C ATOM 993 CG1 ILE A 68 -3.604 -2.554 -4.744 1.00 23.32 C ATOM 994 CG2 ILE A 68 -3.033 -4.951 -4.417 1.00 42.40 C ATOM 995 CD1 ILE A 68 -2.977 -2.407 -6.080 1.00 5.52 C ATOM 0 H ILE A 68 -2.542 -1.541 -2.062 1.00 51.35 H new ATOM 0 HA ILE A 68 -4.241 -3.956 -2.287 1.00 13.45 H new ATOM 0 HB ILE A 68 -1.777 -3.261 -3.922 1.00 42.54 H new ATOM 0 HG12 ILE A 68 -4.632 -2.900 -4.858 1.00 23.32 H new ATOM 0 HG13 ILE A 68 -3.647 -1.583 -4.251 1.00 23.32 H new ATOM 0 HG21 ILE A 68 -2.711 -4.997 -5.457 1.00 42.40 H new ATOM 0 HG22 ILE A 68 -2.443 -5.649 -3.823 1.00 42.40 H new ATOM 0 HG23 ILE A 68 -4.087 -5.219 -4.352 1.00 42.40 H new ATOM 0 HD11 ILE A 68 -3.554 -1.700 -6.677 1.00 5.52 H new ATOM 0 HD12 ILE A 68 -1.958 -2.038 -5.965 1.00 5.52 H new ATOM 0 HD13 ILE A 68 -2.958 -3.375 -6.581 1.00 5.52 H new ATOM 1007 N LEU A 69 -2.449 -5.049 -0.857 1.00 24.04 N ATOM 1008 CA LEU A 69 -1.408 -5.708 -0.133 1.00 41.24 C ATOM 1009 C LEU A 69 -1.321 -7.185 -0.446 1.00 24.05 C ATOM 1010 O LEU A 69 -2.305 -7.916 -0.357 1.00 13.32 O ATOM 1011 CB LEU A 69 -1.303 -5.358 1.384 1.00 42.40 C ATOM 1012 CG LEU A 69 -2.524 -5.518 2.293 1.00 24.42 C ATOM 1013 CD1 LEU A 69 -2.098 -5.278 3.731 1.00 44.52 C ATOM 1014 CD2 LEU A 69 -3.605 -4.511 1.932 1.00 43.21 C ATOM 0 H LEU A 69 -3.387 -5.420 -0.705 1.00 24.04 H new ATOM 0 HA LEU A 69 -0.492 -5.266 -0.525 1.00 41.24 H new ATOM 0 HB2 LEU A 69 -0.504 -5.970 1.803 1.00 42.40 H new ATOM 0 HB3 LEU A 69 -0.980 -4.320 1.455 1.00 42.40 H new ATOM 0 HG LEU A 69 -2.924 -6.524 2.167 1.00 24.42 H new ATOM 0 HD11 LEU A 69 -2.960 -5.389 4.389 1.00 44.52 H new ATOM 0 HD12 LEU A 69 -1.333 -6.003 4.010 1.00 44.52 H new ATOM 0 HD13 LEU A 69 -1.695 -4.270 3.828 1.00 44.52 H new ATOM 0 HD21 LEU A 69 -4.462 -4.645 2.592 1.00 43.21 H new ATOM 0 HD22 LEU A 69 -3.213 -3.500 2.046 1.00 43.21 H new ATOM 0 HD23 LEU A 69 -3.915 -4.665 0.899 1.00 43.21 H new ATOM 1026 N CYS A 70 -0.164 -7.609 -0.836 1.00 2.00 N ATOM 1027 CA CYS A 70 0.078 -8.981 -1.186 1.00 64.02 C ATOM 1028 C CYS A 70 1.082 -9.539 -0.209 1.00 14.21 C ATOM 1029 O CYS A 70 2.110 -8.897 0.049 1.00 64.03 O ATOM 1030 CB CYS A 70 0.623 -9.052 -2.607 1.00 0.44 C ATOM 1031 SG CYS A 70 -0.467 -8.310 -3.847 1.00 2.13 S ATOM 0 H CYS A 70 0.655 -7.008 -0.924 1.00 2.00 H new ATOM 0 HA CYS A 70 -0.844 -9.561 -1.142 1.00 64.02 H new ATOM 0 HB2 CYS A 70 1.590 -8.550 -2.640 1.00 0.44 H new ATOM 0 HB3 CYS A 70 0.796 -10.096 -2.868 1.00 0.44 H new ATOM 0 HG CYS A 70 0.078 -8.415 -5.022 1.00 2.13 H new ATOM 1037 N ASP A 71 0.804 -10.684 0.366 1.00 51.10 N ATOM 1038 CA ASP A 71 1.703 -11.206 1.364 1.00 61.14 C ATOM 1039 C ASP A 71 2.340 -12.495 0.940 1.00 22.54 C ATOM 1040 O ASP A 71 1.699 -13.358 0.375 1.00 51.14 O ATOM 1041 CB ASP A 71 1.006 -11.412 2.710 1.00 41.33 C ATOM 1042 CG ASP A 71 0.042 -12.587 2.745 1.00 72.45 C ATOM 1043 OD1 ASP A 71 -1.122 -12.428 2.369 1.00 11.45 O ATOM 1044 OD2 ASP A 71 0.449 -13.692 3.188 1.00 51.55 O ATOM 0 H ASP A 71 -0.015 -11.259 0.167 1.00 51.10 H new ATOM 0 HA ASP A 71 2.483 -10.453 1.478 1.00 61.14 H new ATOM 0 HB2 ASP A 71 1.764 -11.557 3.480 1.00 41.33 H new ATOM 0 HB3 ASP A 71 0.461 -10.503 2.966 1.00 41.33 H new ATOM 1049 N LYS A 72 3.609 -12.606 1.194 1.00 44.32 N ATOM 1050 CA LYS A 72 4.328 -13.824 0.984 1.00 63.54 C ATOM 1051 C LYS A 72 4.725 -14.426 2.306 1.00 12.43 C ATOM 1052 O LYS A 72 5.529 -15.352 2.351 1.00 44.02 O ATOM 1053 CB LYS A 72 5.565 -13.636 0.106 1.00 2.52 C ATOM 1054 CG LYS A 72 5.266 -13.301 -1.333 1.00 10.31 C ATOM 1055 CD LYS A 72 6.526 -13.340 -2.173 1.00 3.24 C ATOM 1056 CE LYS A 72 6.208 -13.130 -3.635 1.00 33.45 C ATOM 1057 NZ LYS A 72 7.397 -13.310 -4.489 1.00 42.45 N ATOM 0 H LYS A 72 4.180 -11.843 1.557 1.00 44.32 H new ATOM 0 HA LYS A 72 3.657 -14.500 0.454 1.00 63.54 H new ATOM 0 HB2 LYS A 72 6.179 -12.842 0.531 1.00 2.52 H new ATOM 0 HB3 LYS A 72 6.159 -14.549 0.137 1.00 2.52 H new ATOM 0 HG2 LYS A 72 4.538 -14.008 -1.731 1.00 10.31 H new ATOM 0 HG3 LYS A 72 4.815 -12.310 -1.393 1.00 10.31 H new ATOM 0 HD2 LYS A 72 7.218 -12.569 -1.833 1.00 3.24 H new ATOM 0 HD3 LYS A 72 7.027 -14.299 -2.040 1.00 3.24 H new ATOM 0 HE2 LYS A 72 5.432 -13.831 -3.942 1.00 33.45 H new ATOM 0 HE3 LYS A 72 5.807 -12.127 -3.779 1.00 33.45 H new ATOM 0 HZ1 LYS A 72 7.148 -13.108 -5.478 1.00 42.45 H new ATOM 0 HZ2 LYS A 72 8.147 -12.659 -4.181 1.00 42.45 H new ATOM 0 HZ3 LYS A 72 7.735 -14.290 -4.411 1.00 42.45 H new ATOM 1071 N PHE A 73 4.149 -13.913 3.407 1.00 71.24 N ATOM 1072 CA PHE A 73 4.428 -14.485 4.730 1.00 73.41 C ATOM 1073 C PHE A 73 3.731 -15.831 4.857 1.00 51.31 C ATOM 1074 O PHE A 73 3.939 -16.578 5.804 1.00 22.30 O ATOM 1075 CB PHE A 73 4.046 -13.533 5.905 1.00 52.30 C ATOM 1076 CG PHE A 73 2.570 -13.282 6.162 1.00 75.32 C ATOM 1077 CD1 PHE A 73 1.778 -14.244 6.786 1.00 21.04 C ATOM 1078 CD2 PHE A 73 1.992 -12.088 5.815 1.00 54.14 C ATOM 1079 CE1 PHE A 73 0.442 -14.010 7.041 1.00 53.23 C ATOM 1080 CE2 PHE A 73 0.650 -11.845 6.074 1.00 4.34 C ATOM 1081 CZ PHE A 73 -0.122 -12.808 6.685 1.00 2.14 C ATOM 0 H PHE A 73 3.504 -13.123 3.407 1.00 71.24 H new ATOM 0 HA PHE A 73 5.506 -14.624 4.808 1.00 73.41 H new ATOM 0 HB2 PHE A 73 4.481 -13.938 6.819 1.00 52.30 H new ATOM 0 HB3 PHE A 73 4.523 -12.570 5.724 1.00 52.30 H new ATOM 0 HD1 PHE A 73 2.217 -15.188 7.075 1.00 21.04 H new ATOM 0 HD2 PHE A 73 2.588 -11.327 5.334 1.00 54.14 H new ATOM 0 HE1 PHE A 73 -0.159 -14.769 7.519 1.00 53.23 H new ATOM 0 HE2 PHE A 73 0.210 -10.899 5.796 1.00 4.34 H new ATOM 0 HZ PHE A 73 -1.167 -12.620 6.884 1.00 2.14 H new ATOM 1091 N SER A 74 2.891 -16.096 3.892 1.00 61.51 N ATOM 1092 CA SER A 74 2.193 -17.338 3.778 1.00 24.34 C ATOM 1093 C SER A 74 2.980 -18.287 2.850 1.00 32.40 C ATOM 1094 O SER A 74 2.493 -19.356 2.469 1.00 63.40 O ATOM 1095 CB SER A 74 0.801 -17.072 3.208 1.00 51.21 C ATOM 1096 OG SER A 74 0.089 -16.138 4.017 1.00 44.51 O ATOM 0 H SER A 74 2.671 -15.434 3.148 1.00 61.51 H new ATOM 0 HA SER A 74 2.098 -17.807 4.757 1.00 24.34 H new ATOM 0 HB2 SER A 74 0.887 -16.687 2.192 1.00 51.21 H new ATOM 0 HB3 SER A 74 0.243 -18.007 3.149 1.00 51.21 H new ATOM 0 HG SER A 74 0.456 -15.240 3.880 1.00 44.51 H new ATOM 1102 N GLY A 75 4.205 -17.882 2.487 1.00 55.13 N ATOM 1103 CA GLY A 75 5.040 -18.653 1.571 1.00 51.45 C ATOM 1104 C GLY A 75 4.622 -18.407 0.140 1.00 10.44 C ATOM 1105 O GLY A 75 5.423 -18.000 -0.717 1.00 23.23 O ATOM 0 H GLY A 75 4.637 -17.019 2.819 1.00 55.13 H new ATOM 0 HA2 GLY A 75 6.086 -18.377 1.703 1.00 51.45 H new ATOM 0 HA3 GLY A 75 4.959 -19.715 1.802 1.00 51.45 H new ATOM 1109 N HIS A 76 3.361 -18.628 -0.083 1.00 70.11 N ATOM 1110 CA HIS A 76 2.720 -18.384 -1.347 1.00 33.43 C ATOM 1111 C HIS A 76 2.097 -17.019 -1.261 1.00 45.24 C ATOM 1112 O HIS A 76 1.435 -16.717 -0.264 1.00 44.44 O ATOM 1113 CB HIS A 76 1.653 -19.445 -1.665 1.00 1.33 C ATOM 1114 CG HIS A 76 2.197 -20.829 -1.850 1.00 31.23 C ATOM 1115 ND1 HIS A 76 2.419 -21.392 -3.086 1.00 51.03 N ATOM 1116 CD2 HIS A 76 2.549 -21.773 -0.948 1.00 41.33 C ATOM 1117 CE1 HIS A 76 2.876 -22.613 -2.935 1.00 70.22 C ATOM 1118 NE2 HIS A 76 2.969 -22.871 -1.649 1.00 52.40 N ATOM 0 H HIS A 76 2.728 -18.994 0.629 1.00 70.11 H new ATOM 0 HA HIS A 76 3.452 -18.438 -2.153 1.00 33.43 H new ATOM 0 HB2 HIS A 76 0.920 -19.460 -0.858 1.00 1.33 H new ATOM 0 HB3 HIS A 76 1.123 -19.151 -2.571 1.00 1.33 H new ATOM 0 HD2 HIS A 76 2.507 -21.678 0.127 1.00 41.33 H new ATOM 0 HE1 HIS A 76 3.133 -23.293 -3.734 1.00 70.22 H new ATOM 0 HE2 HIS A 76 3.300 -23.745 -1.241 1.00 52.40 H new ATOM 1127 N PRO A 77 2.315 -16.158 -2.257 1.00 10.20 N ATOM 1128 CA PRO A 77 1.797 -14.798 -2.215 1.00 70.24 C ATOM 1129 C PRO A 77 0.282 -14.750 -2.280 1.00 21.31 C ATOM 1130 O PRO A 77 -0.332 -15.212 -3.257 1.00 21.02 O ATOM 1131 CB PRO A 77 2.397 -14.140 -3.465 1.00 53.31 C ATOM 1132 CG PRO A 77 2.738 -15.269 -4.376 1.00 75.21 C ATOM 1133 CD PRO A 77 3.071 -16.435 -3.492 1.00 65.30 C ATOM 0 HA PRO A 77 2.062 -14.300 -1.283 1.00 70.24 H new ATOM 0 HB2 PRO A 77 1.685 -13.459 -3.931 1.00 53.31 H new ATOM 0 HB3 PRO A 77 3.282 -13.554 -3.215 1.00 53.31 H new ATOM 0 HG2 PRO A 77 1.901 -15.505 -5.033 1.00 75.21 H new ATOM 0 HG3 PRO A 77 3.582 -15.012 -5.015 1.00 75.21 H new ATOM 0 HD2 PRO A 77 2.769 -17.380 -3.944 1.00 65.30 H new ATOM 0 HD3 PRO A 77 4.142 -16.501 -3.301 1.00 65.30 H new ATOM 1141 N LYS A 78 -0.327 -14.223 -1.244 1.00 3.13 N ATOM 1142 CA LYS A 78 -1.740 -14.019 -1.244 1.00 44.43 C ATOM 1143 C LYS A 78 -1.999 -12.574 -1.557 1.00 14.14 C ATOM 1144 O LYS A 78 -1.075 -11.835 -1.919 1.00 53.33 O ATOM 1145 CB LYS A 78 -2.370 -14.340 0.111 1.00 12.44 C ATOM 1146 CG LYS A 78 -1.989 -15.672 0.708 1.00 53.41 C ATOM 1147 CD LYS A 78 -3.010 -16.130 1.762 1.00 1.31 C ATOM 1148 CE LYS A 78 -3.333 -15.063 2.815 1.00 22.32 C ATOM 1149 NZ LYS A 78 -2.162 -14.624 3.586 1.00 24.04 N ATOM 0 H LYS A 78 0.146 -13.929 -0.389 1.00 3.13 H new ATOM 0 HA LYS A 78 -2.182 -14.685 -1.985 1.00 44.43 H new ATOM 0 HB2 LYS A 78 -2.095 -13.555 0.815 1.00 12.44 H new ATOM 0 HB3 LYS A 78 -3.454 -14.307 0.004 1.00 12.44 H new ATOM 0 HG2 LYS A 78 -1.920 -16.420 -0.082 1.00 53.41 H new ATOM 0 HG3 LYS A 78 -1.002 -15.598 1.164 1.00 53.41 H new ATOM 0 HD2 LYS A 78 -3.932 -16.421 1.259 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -2.626 -17.018 2.264 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -3.777 -14.199 2.320 1.00 22.32 H new ATOM 0 HE3 LYS A 78 -4.083 -15.457 3.501 1.00 22.32 H new ATOM 0 HZ1 LYS A 78 -2.357 -14.727 4.602 1.00 24.04 H new ATOM 0 HZ2 LYS A 78 -1.339 -15.207 3.330 1.00 24.04 H new ATOM 0 HZ3 LYS A 78 -1.960 -13.627 3.372 1.00 24.04 H new ATOM 1163 N GLY A 79 -3.217 -12.154 -1.392 1.00 75.22 N ATOM 1164 CA GLY A 79 -3.541 -10.815 -1.690 1.00 22.43 C ATOM 1165 C GLY A 79 -4.836 -10.385 -1.083 1.00 0.22 C ATOM 1166 O GLY A 79 -5.806 -11.156 -1.032 1.00 44.34 O ATOM 0 H GLY A 79 -3.991 -12.725 -1.054 1.00 75.22 H new ATOM 0 HA2 GLY A 79 -2.743 -10.164 -1.332 1.00 22.43 H new ATOM 0 HA3 GLY A 79 -3.593 -10.690 -2.772 1.00 22.43 H new ATOM 1170 N TYR A 80 -4.840 -9.183 -0.596 1.00 42.23 N ATOM 1171 CA TYR A 80 -6.015 -8.533 -0.109 1.00 72.23 C ATOM 1172 C TYR A 80 -5.858 -7.044 -0.292 1.00 10.31 C ATOM 1173 O TYR A 80 -4.765 -6.516 -0.182 1.00 13.24 O ATOM 1174 CB TYR A 80 -6.413 -8.959 1.332 1.00 15.12 C ATOM 1175 CG TYR A 80 -5.376 -8.773 2.426 1.00 33.14 C ATOM 1176 CD1 TYR A 80 -4.284 -9.627 2.535 1.00 22.23 C ATOM 1177 CD2 TYR A 80 -5.519 -7.774 3.377 1.00 63.34 C ATOM 1178 CE1 TYR A 80 -3.366 -9.487 3.553 1.00 30.10 C ATOM 1179 CE2 TYR A 80 -4.602 -7.622 4.395 1.00 5.22 C ATOM 1180 CZ TYR A 80 -3.527 -8.483 4.479 1.00 4.42 C ATOM 1181 OH TYR A 80 -2.618 -8.343 5.502 1.00 21.00 O ATOM 0 H TYR A 80 -3.999 -8.610 -0.525 1.00 42.23 H new ATOM 0 HA TYR A 80 -6.869 -8.862 -0.701 1.00 72.23 H new ATOM 0 HB2 TYR A 80 -7.305 -8.400 1.615 1.00 15.12 H new ATOM 0 HB3 TYR A 80 -6.692 -10.012 1.307 1.00 15.12 H new ATOM 0 HD1 TYR A 80 -4.153 -10.415 1.808 1.00 22.23 H new ATOM 0 HD2 TYR A 80 -6.364 -7.103 3.319 1.00 63.34 H new ATOM 0 HE1 TYR A 80 -2.525 -10.161 3.623 1.00 30.10 H new ATOM 0 HE2 TYR A 80 -4.724 -6.833 5.123 1.00 5.22 H new ATOM 0 HH TYR A 80 -2.876 -7.585 6.068 1.00 21.00 H new ATOM 1191 N ALA A 81 -6.913 -6.387 -0.615 1.00 71.43 N ATOM 1192 CA ALA A 81 -6.856 -4.999 -0.940 1.00 1.41 C ATOM 1193 C ALA A 81 -7.885 -4.219 -0.175 1.00 33.32 C ATOM 1194 O ALA A 81 -8.893 -4.757 0.217 1.00 42.21 O ATOM 1195 CB ALA A 81 -7.060 -4.810 -2.445 1.00 65.01 C ATOM 0 H ALA A 81 -7.847 -6.794 -0.663 1.00 71.43 H new ATOM 0 HA ALA A 81 -5.873 -4.622 -0.659 1.00 1.41 H new ATOM 0 HB1 ALA A 81 -7.016 -3.748 -2.688 1.00 65.01 H new ATOM 0 HB2 ALA A 81 -6.277 -5.339 -2.988 1.00 65.01 H new ATOM 0 HB3 ALA A 81 -8.033 -5.208 -2.733 1.00 65.01 H new ATOM 1201 N TYR A 82 -7.619 -2.983 0.073 1.00 51.03 N ATOM 1202 CA TYR A 82 -8.574 -2.121 0.695 1.00 40.22 C ATOM 1203 C TYR A 82 -8.866 -0.965 -0.226 1.00 1.01 C ATOM 1204 O TYR A 82 -7.979 -0.184 -0.546 1.00 52.03 O ATOM 1205 CB TYR A 82 -8.066 -1.613 2.045 1.00 4.13 C ATOM 1206 CG TYR A 82 -7.810 -2.697 3.073 1.00 11.31 C ATOM 1207 CD1 TYR A 82 -8.854 -3.270 3.773 1.00 32.41 C ATOM 1208 CD2 TYR A 82 -6.525 -3.119 3.362 1.00 12.25 C ATOM 1209 CE1 TYR A 82 -8.621 -4.240 4.734 1.00 52.24 C ATOM 1210 CE2 TYR A 82 -6.289 -4.094 4.317 1.00 75.31 C ATOM 1211 CZ TYR A 82 -7.339 -4.644 4.997 1.00 75.24 C ATOM 1212 OH TYR A 82 -7.104 -5.606 5.949 1.00 40.44 O ATOM 0 H TYR A 82 -6.730 -2.536 -0.150 1.00 51.03 H new ATOM 0 HA TYR A 82 -9.489 -2.684 0.881 1.00 40.22 H new ATOM 0 HB2 TYR A 82 -7.142 -1.058 1.885 1.00 4.13 H new ATOM 0 HB3 TYR A 82 -8.794 -0.911 2.451 1.00 4.13 H new ATOM 0 HD1 TYR A 82 -9.867 -2.957 3.568 1.00 32.41 H new ATOM 0 HD2 TYR A 82 -5.691 -2.681 2.834 1.00 12.25 H new ATOM 0 HE1 TYR A 82 -9.448 -4.677 5.274 1.00 52.24 H new ATOM 0 HE2 TYR A 82 -5.280 -4.418 4.523 1.00 75.31 H new ATOM 0 HH TYR A 82 -6.599 -6.345 5.550 1.00 40.44 H new ATOM 1222 N ILE A 83 -10.077 -0.876 -0.683 1.00 3.52 N ATOM 1223 CA ILE A 83 -10.469 0.186 -1.583 1.00 53.14 C ATOM 1224 C ILE A 83 -11.226 1.224 -0.765 1.00 13.32 C ATOM 1225 O ILE A 83 -12.213 0.894 -0.124 1.00 64.15 O ATOM 1226 CB ILE A 83 -11.412 -0.373 -2.700 1.00 32.10 C ATOM 1227 CG1 ILE A 83 -10.810 -1.606 -3.410 1.00 62.53 C ATOM 1228 CG2 ILE A 83 -11.793 0.704 -3.707 1.00 55.43 C ATOM 1229 CD1 ILE A 83 -9.493 -1.374 -4.111 1.00 71.11 C ATOM 0 H ILE A 83 -10.825 -1.529 -0.449 1.00 3.52 H new ATOM 0 HA ILE A 83 -9.589 0.621 -2.056 1.00 53.14 H new ATOM 0 HB ILE A 83 -12.324 -0.700 -2.200 1.00 32.10 H new ATOM 0 HG12 ILE A 83 -10.675 -2.398 -2.673 1.00 62.53 H new ATOM 0 HG13 ILE A 83 -11.531 -1.971 -4.141 1.00 62.53 H new ATOM 0 HG21 ILE A 83 -12.448 0.277 -4.466 1.00 55.43 H new ATOM 0 HG22 ILE A 83 -12.312 1.514 -3.194 1.00 55.43 H new ATOM 0 HG23 ILE A 83 -10.892 1.093 -4.182 1.00 55.43 H new ATOM 0 HD11 ILE A 83 -9.160 -2.302 -4.575 1.00 71.11 H new ATOM 0 HD12 ILE A 83 -9.619 -0.609 -4.877 1.00 71.11 H new ATOM 0 HD13 ILE A 83 -8.749 -1.043 -3.387 1.00 71.11 H new ATOM 1241 N GLU A 84 -10.761 2.439 -0.743 1.00 23.13 N ATOM 1242 CA GLU A 84 -11.434 3.462 0.024 1.00 53.42 C ATOM 1243 C GLU A 84 -12.171 4.403 -0.920 1.00 41.11 C ATOM 1244 O GLU A 84 -11.575 4.980 -1.834 1.00 44.10 O ATOM 1245 CB GLU A 84 -10.445 4.235 0.916 1.00 0.44 C ATOM 1246 CG GLU A 84 -9.589 3.337 1.818 1.00 64.53 C ATOM 1247 CD GLU A 84 -8.749 4.121 2.818 1.00 33.05 C ATOM 1248 OE1 GLU A 84 -7.686 4.632 2.453 1.00 25.45 O ATOM 1249 OE2 GLU A 84 -9.148 4.212 3.968 1.00 33.13 O ATOM 0 H GLU A 84 -9.927 2.750 -1.240 1.00 23.13 H new ATOM 0 HA GLU A 84 -12.157 2.985 0.686 1.00 53.42 H new ATOM 0 HB2 GLU A 84 -9.787 4.829 0.282 1.00 0.44 H new ATOM 0 HB3 GLU A 84 -11.003 4.934 1.540 1.00 0.44 H new ATOM 0 HG2 GLU A 84 -10.240 2.650 2.359 1.00 64.53 H new ATOM 0 HG3 GLU A 84 -8.931 2.730 1.197 1.00 64.53 H new ATOM 1256 N PHE A 85 -13.451 4.535 -0.725 1.00 11.30 N ATOM 1257 CA PHE A 85 -14.270 5.369 -1.577 1.00 2.00 C ATOM 1258 C PHE A 85 -14.445 6.759 -1.027 1.00 51.21 C ATOM 1259 O PHE A 85 -14.278 6.998 0.165 1.00 33.30 O ATOM 1260 CB PHE A 85 -15.634 4.745 -1.811 1.00 32.11 C ATOM 1261 CG PHE A 85 -15.623 3.526 -2.671 1.00 11.41 C ATOM 1262 CD1 PHE A 85 -15.715 3.655 -4.042 1.00 72.11 C ATOM 1263 CD2 PHE A 85 -15.546 2.260 -2.124 1.00 11.33 C ATOM 1264 CE1 PHE A 85 -15.732 2.556 -4.853 1.00 74.33 C ATOM 1265 CE2 PHE A 85 -15.557 1.150 -2.936 1.00 2.44 C ATOM 1266 CZ PHE A 85 -15.653 1.304 -4.305 1.00 35.11 C ATOM 0 H PHE A 85 -13.962 4.071 0.026 1.00 11.30 H new ATOM 0 HA PHE A 85 -13.738 5.445 -2.526 1.00 2.00 H new ATOM 0 HB2 PHE A 85 -16.071 4.488 -0.846 1.00 32.11 H new ATOM 0 HB3 PHE A 85 -16.285 5.490 -2.268 1.00 32.11 H new ATOM 0 HD1 PHE A 85 -15.774 4.640 -4.480 1.00 72.11 H new ATOM 0 HD2 PHE A 85 -15.477 2.141 -1.053 1.00 11.33 H new ATOM 0 HE1 PHE A 85 -15.808 2.674 -5.924 1.00 74.33 H new ATOM 0 HE2 PHE A 85 -15.491 0.162 -2.505 1.00 2.44 H new ATOM 0 HZ PHE A 85 -15.666 0.434 -4.945 1.00 35.11 H new ATOM 1276 N ALA A 86 -14.741 7.683 -1.910 1.00 1.44 N ATOM 1277 CA ALA A 86 -15.017 9.038 -1.523 1.00 14.14 C ATOM 1278 C ALA A 86 -16.424 9.150 -0.946 1.00 44.31 C ATOM 1279 O ALA A 86 -16.660 9.920 -0.020 1.00 61.52 O ATOM 1280 CB ALA A 86 -14.823 9.976 -2.697 1.00 34.12 C ATOM 0 H ALA A 86 -14.796 7.513 -2.914 1.00 1.44 H new ATOM 0 HA ALA A 86 -14.313 9.332 -0.745 1.00 14.14 H new ATOM 0 HB1 ALA A 86 -15.037 10.998 -2.385 1.00 34.12 H new ATOM 0 HB2 ALA A 86 -13.793 9.911 -3.048 1.00 34.12 H new ATOM 0 HB3 ALA A 86 -15.500 9.694 -3.504 1.00 34.12 H new ATOM 1286 N GLU A 87 -17.356 8.391 -1.502 1.00 2.31 N ATOM 1287 CA GLU A 87 -18.709 8.351 -0.979 1.00 5.41 C ATOM 1288 C GLU A 87 -18.925 7.076 -0.180 1.00 52.50 C ATOM 1289 O GLU A 87 -18.370 6.027 -0.506 1.00 54.01 O ATOM 1290 CB GLU A 87 -19.784 8.448 -2.086 1.00 54.13 C ATOM 1291 CG GLU A 87 -19.877 9.778 -2.844 1.00 71.43 C ATOM 1292 CD GLU A 87 -18.683 10.106 -3.710 1.00 60.15 C ATOM 1293 OE1 GLU A 87 -18.593 9.564 -4.833 1.00 11.04 O ATOM 1294 OE2 GLU A 87 -17.857 10.957 -3.309 1.00 64.12 O ATOM 0 H GLU A 87 -17.198 7.795 -2.315 1.00 2.31 H new ATOM 0 HA GLU A 87 -18.820 9.224 -0.336 1.00 5.41 H new ATOM 0 HB2 GLU A 87 -19.597 7.656 -2.811 1.00 54.13 H new ATOM 0 HB3 GLU A 87 -20.755 8.245 -1.635 1.00 54.13 H new ATOM 0 HG2 GLU A 87 -20.768 9.759 -3.472 1.00 71.43 H new ATOM 0 HG3 GLU A 87 -20.014 10.582 -2.121 1.00 71.43 H new ATOM 1301 N ARG A 88 -19.731 7.159 0.862 1.00 54.22 N ATOM 1302 CA ARG A 88 -20.042 5.999 1.690 1.00 1.54 C ATOM 1303 C ARG A 88 -21.011 5.130 0.898 1.00 44.32 C ATOM 1304 O ARG A 88 -21.005 3.907 0.985 1.00 61.30 O ATOM 1305 CB ARG A 88 -20.730 6.458 2.977 1.00 72.14 C ATOM 1306 CG ARG A 88 -20.291 5.750 4.270 1.00 43.02 C ATOM 1307 CD ARG A 88 -20.394 4.230 4.233 1.00 42.00 C ATOM 1308 NE ARG A 88 -21.741 3.726 3.941 1.00 41.54 N ATOM 1309 CZ ARG A 88 -22.497 3.024 4.802 1.00 74.15 C ATOM 1310 NH1 ARG A 88 -22.155 2.924 6.092 1.00 32.53 N ATOM 1311 NH2 ARG A 88 -23.597 2.445 4.379 1.00 63.21 N ATOM 0 H ARG A 88 -20.187 8.021 1.160 1.00 54.22 H new ATOM 0 HA ARG A 88 -19.134 5.453 1.946 1.00 1.54 H new ATOM 0 HB2 ARG A 88 -20.556 7.528 3.096 1.00 72.14 H new ATOM 0 HB3 ARG A 88 -21.805 6.321 2.859 1.00 72.14 H new ATOM 0 HG2 ARG A 88 -19.259 6.025 4.486 1.00 43.02 H new ATOM 0 HG3 ARG A 88 -20.899 6.121 5.095 1.00 43.02 H new ATOM 0 HD2 ARG A 88 -19.704 3.848 3.480 1.00 42.00 H new ATOM 0 HD3 ARG A 88 -20.069 3.831 5.194 1.00 42.00 H new ATOM 0 HE ARG A 88 -22.131 3.922 3.019 1.00 41.54 H new ATOM 0 HH11 ARG A 88 -21.311 3.384 6.433 1.00 32.53 H new ATOM 0 HH12 ARG A 88 -22.738 2.388 6.734 1.00 32.53 H new ATOM 0 HH21 ARG A 88 -23.874 2.529 3.401 1.00 63.21 H new ATOM 0 HH22 ARG A 88 -24.174 1.911 5.028 1.00 63.21 H new ATOM 1325 N ASN A 89 -21.823 5.804 0.110 1.00 60.51 N ATOM 1326 CA ASN A 89 -22.826 5.184 -0.755 1.00 31.43 C ATOM 1327 C ASN A 89 -22.164 4.264 -1.749 1.00 12.41 C ATOM 1328 O ASN A 89 -22.740 3.250 -2.155 1.00 43.34 O ATOM 1329 CB ASN A 89 -23.599 6.259 -1.523 1.00 15.23 C ATOM 1330 CG ASN A 89 -24.371 7.220 -0.632 1.00 22.52 C ATOM 1331 OD1 ASN A 89 -24.027 7.447 0.516 1.00 75.11 O ATOM 1332 ND2 ASN A 89 -25.374 7.831 -1.172 1.00 3.22 N ATOM 0 H ASN A 89 -21.810 6.822 0.046 1.00 60.51 H new ATOM 0 HA ASN A 89 -23.510 4.614 -0.126 1.00 31.43 H new ATOM 0 HB2 ASN A 89 -22.899 6.829 -2.134 1.00 15.23 H new ATOM 0 HB3 ASN A 89 -24.296 5.773 -2.206 1.00 15.23 H new ATOM 0 HD21 ASN A 89 -25.899 8.522 -0.636 1.00 3.22 H new ATOM 0 HD22 ASN A 89 -25.640 7.622 -2.134 1.00 3.22 H new ATOM 1339 N SER A 90 -20.946 4.607 -2.144 1.00 13.41 N ATOM 1340 CA SER A 90 -20.191 3.820 -3.059 1.00 51.15 C ATOM 1341 C SER A 90 -19.867 2.462 -2.453 1.00 63.24 C ATOM 1342 O SER A 90 -19.883 1.448 -3.150 1.00 33.11 O ATOM 1343 CB SER A 90 -18.917 4.554 -3.432 1.00 64.45 C ATOM 1344 OG SER A 90 -19.205 5.840 -3.958 1.00 11.43 O ATOM 0 H SER A 90 -20.466 5.449 -1.826 1.00 13.41 H new ATOM 0 HA SER A 90 -20.783 3.656 -3.960 1.00 51.15 H new ATOM 0 HB2 SER A 90 -18.279 4.651 -2.554 1.00 64.45 H new ATOM 0 HB3 SER A 90 -18.361 3.973 -4.167 1.00 64.45 H new ATOM 0 HG SER A 90 -18.391 6.386 -3.950 1.00 11.43 H new ATOM 1350 N VAL A 91 -19.598 2.427 -1.133 1.00 24.33 N ATOM 1351 CA VAL A 91 -19.268 1.165 -0.503 1.00 70.42 C ATOM 1352 C VAL A 91 -20.490 0.270 -0.508 1.00 51.32 C ATOM 1353 O VAL A 91 -20.373 -0.922 -0.734 1.00 64.02 O ATOM 1354 CB VAL A 91 -18.636 1.260 0.941 1.00 2.45 C ATOM 1355 CG1 VAL A 91 -17.627 2.382 1.044 1.00 41.55 C ATOM 1356 CG2 VAL A 91 -19.661 1.298 2.081 1.00 35.43 C ATOM 0 H VAL A 91 -19.605 3.237 -0.513 1.00 24.33 H new ATOM 0 HA VAL A 91 -18.467 0.735 -1.104 1.00 70.42 H new ATOM 0 HB VAL A 91 -18.102 0.320 1.078 1.00 2.45 H new ATOM 0 HG11 VAL A 91 -17.217 2.411 2.054 1.00 41.55 H new ATOM 0 HG12 VAL A 91 -16.821 2.213 0.330 1.00 41.55 H new ATOM 0 HG13 VAL A 91 -18.115 3.331 0.823 1.00 41.55 H new ATOM 0 HG21 VAL A 91 -19.140 1.363 3.036 1.00 35.43 H new ATOM 0 HG22 VAL A 91 -20.308 2.167 1.960 1.00 35.43 H new ATOM 0 HG23 VAL A 91 -20.265 0.391 2.058 1.00 35.43 H new ATOM 1366 N ASP A 92 -21.685 0.864 -0.284 1.00 71.43 N ATOM 1367 CA ASP A 92 -22.950 0.105 -0.335 1.00 43.44 C ATOM 1368 C ASP A 92 -23.150 -0.557 -1.686 1.00 64.13 C ATOM 1369 O ASP A 92 -23.686 -1.657 -1.779 1.00 32.51 O ATOM 1370 CB ASP A 92 -24.169 0.989 -0.026 1.00 20.24 C ATOM 1371 CG ASP A 92 -24.216 1.508 1.391 1.00 15.44 C ATOM 1372 OD1 ASP A 92 -24.562 0.744 2.303 1.00 50.24 O ATOM 1373 OD2 ASP A 92 -23.944 2.714 1.609 1.00 74.21 O ATOM 0 H ASP A 92 -21.797 1.855 -0.069 1.00 71.43 H new ATOM 0 HA ASP A 92 -22.870 -0.663 0.435 1.00 43.44 H new ATOM 0 HB2 ASP A 92 -24.172 1.837 -0.711 1.00 20.24 H new ATOM 0 HB3 ASP A 92 -25.076 0.418 -0.222 1.00 20.24 H new ATOM 1378 N ALA A 93 -22.734 0.108 -2.731 1.00 73.10 N ATOM 1379 CA ALA A 93 -22.833 -0.454 -4.061 1.00 1.22 C ATOM 1380 C ALA A 93 -21.792 -1.561 -4.259 1.00 43.15 C ATOM 1381 O ALA A 93 -22.044 -2.548 -4.940 1.00 13.34 O ATOM 1382 CB ALA A 93 -22.693 0.631 -5.115 1.00 21.54 C ATOM 0 H ALA A 93 -22.322 1.040 -2.692 1.00 73.10 H new ATOM 0 HA ALA A 93 -23.821 -0.901 -4.174 1.00 1.22 H new ATOM 0 HB1 ALA A 93 -22.770 0.187 -6.107 1.00 21.54 H new ATOM 0 HB2 ALA A 93 -23.485 1.369 -4.985 1.00 21.54 H new ATOM 0 HB3 ALA A 93 -21.723 1.117 -5.010 1.00 21.54 H new ATOM 1388 N ALA A 94 -20.645 -1.405 -3.618 1.00 44.45 N ATOM 1389 CA ALA A 94 -19.544 -2.355 -3.755 1.00 35.14 C ATOM 1390 C ALA A 94 -19.800 -3.636 -2.953 1.00 71.41 C ATOM 1391 O ALA A 94 -19.517 -4.725 -3.414 1.00 24.23 O ATOM 1392 CB ALA A 94 -18.220 -1.711 -3.359 1.00 33.13 C ATOM 0 H ALA A 94 -20.448 -0.624 -2.992 1.00 44.45 H new ATOM 0 HA ALA A 94 -19.481 -2.639 -4.805 1.00 35.14 H new ATOM 0 HB1 ALA A 94 -17.415 -2.437 -3.469 1.00 33.13 H new ATOM 0 HB2 ALA A 94 -18.026 -0.853 -4.003 1.00 33.13 H new ATOM 0 HB3 ALA A 94 -18.272 -1.381 -2.321 1.00 33.13 H new ATOM 1398 N VAL A 95 -20.343 -3.483 -1.747 1.00 61.43 N ATOM 1399 CA VAL A 95 -20.677 -4.628 -0.862 1.00 4.42 C ATOM 1400 C VAL A 95 -21.607 -5.651 -1.526 1.00 4.23 C ATOM 1401 O VAL A 95 -21.654 -6.798 -1.115 1.00 35.24 O ATOM 1402 CB VAL A 95 -21.244 -4.199 0.516 1.00 54.14 C ATOM 1403 CG1 VAL A 95 -20.259 -3.336 1.261 1.00 24.31 C ATOM 1404 CG2 VAL A 95 -22.586 -3.522 0.401 1.00 44.31 C ATOM 0 H VAL A 95 -20.568 -2.573 -1.345 1.00 61.43 H new ATOM 0 HA VAL A 95 -19.719 -5.116 -0.682 1.00 4.42 H new ATOM 0 HB VAL A 95 -21.402 -5.111 1.092 1.00 54.14 H new ATOM 0 HG11 VAL A 95 -20.682 -3.049 2.224 1.00 24.31 H new ATOM 0 HG12 VAL A 95 -19.336 -3.893 1.422 1.00 24.31 H new ATOM 0 HG13 VAL A 95 -20.046 -2.441 0.677 1.00 24.31 H new ATOM 0 HG21 VAL A 95 -22.938 -3.242 1.394 1.00 44.31 H new ATOM 0 HG22 VAL A 95 -22.491 -2.628 -0.216 1.00 44.31 H new ATOM 0 HG23 VAL A 95 -23.300 -4.206 -0.058 1.00 44.31 H new ATOM 1414 N ALA A 96 -22.343 -5.223 -2.556 1.00 74.53 N ATOM 1415 CA ALA A 96 -23.225 -6.118 -3.326 1.00 44.22 C ATOM 1416 C ALA A 96 -22.392 -7.171 -4.095 1.00 61.20 C ATOM 1417 O ALA A 96 -22.912 -8.174 -4.581 1.00 2.11 O ATOM 1418 CB ALA A 96 -24.072 -5.305 -4.298 1.00 40.40 C ATOM 0 H ALA A 96 -22.348 -4.256 -2.881 1.00 74.53 H new ATOM 0 HA ALA A 96 -23.884 -6.640 -2.632 1.00 44.22 H new ATOM 0 HB1 ALA A 96 -24.721 -5.974 -4.863 1.00 40.40 H new ATOM 0 HB2 ALA A 96 -24.681 -4.593 -3.742 1.00 40.40 H new ATOM 0 HB3 ALA A 96 -23.420 -4.766 -4.985 1.00 40.40 H new ATOM 1424 N MET A 97 -21.110 -6.916 -4.177 1.00 41.31 N ATOM 1425 CA MET A 97 -20.136 -7.781 -4.836 1.00 11.01 C ATOM 1426 C MET A 97 -19.416 -8.653 -3.821 1.00 62.34 C ATOM 1427 O MET A 97 -18.448 -9.322 -4.164 1.00 53.04 O ATOM 1428 CB MET A 97 -19.134 -6.906 -5.588 1.00 25.41 C ATOM 1429 CG MET A 97 -19.713 -6.237 -6.812 1.00 53.20 C ATOM 1430 SD MET A 97 -18.874 -4.705 -7.277 1.00 5.22 S ATOM 1431 CE MET A 97 -17.146 -5.100 -7.153 1.00 22.22 C ATOM 0 H MET A 97 -20.692 -6.076 -3.777 1.00 41.31 H new ATOM 0 HA MET A 97 -20.651 -8.440 -5.535 1.00 11.01 H new ATOM 0 HB2 MET A 97 -18.754 -6.140 -4.912 1.00 25.41 H new ATOM 0 HB3 MET A 97 -18.283 -7.518 -5.887 1.00 25.41 H new ATOM 0 HG2 MET A 97 -19.668 -6.933 -7.650 1.00 53.20 H new ATOM 0 HG3 MET A 97 -20.766 -6.022 -6.632 1.00 53.20 H new ATOM 0 HE1 MET A 97 -16.554 -4.261 -7.520 1.00 22.22 H new ATOM 0 HE2 MET A 97 -16.891 -5.296 -6.111 1.00 22.22 H new ATOM 0 HE3 MET A 97 -16.931 -5.985 -7.752 1.00 22.22 H new ATOM 1441 N ASP A 98 -19.898 -8.614 -2.554 1.00 72.30 N ATOM 1442 CA ASP A 98 -19.332 -9.392 -1.418 1.00 54.23 C ATOM 1443 C ASP A 98 -18.841 -10.775 -1.804 1.00 14.10 C ATOM 1444 O ASP A 98 -17.707 -11.118 -1.489 1.00 43.41 O ATOM 1445 CB ASP A 98 -20.306 -9.486 -0.207 1.00 52.34 C ATOM 1446 CG ASP A 98 -21.568 -10.306 -0.468 1.00 35.12 C ATOM 1447 OD1 ASP A 98 -22.583 -9.749 -0.933 1.00 3.50 O ATOM 1448 OD2 ASP A 98 -21.557 -11.521 -0.217 1.00 64.32 O ATOM 0 H ASP A 98 -20.697 -8.038 -2.287 1.00 72.30 H new ATOM 0 HA ASP A 98 -18.458 -8.817 -1.111 1.00 54.23 H new ATOM 0 HB2 ASP A 98 -19.773 -9.922 0.638 1.00 52.34 H new ATOM 0 HB3 ASP A 98 -20.598 -8.478 0.087 1.00 52.34 H new ATOM 1453 N GLU A 99 -19.662 -11.582 -2.434 1.00 21.44 N ATOM 1454 CA GLU A 99 -19.219 -12.847 -2.890 1.00 15.33 C ATOM 1455 C GLU A 99 -19.355 -12.916 -4.406 1.00 11.32 C ATOM 1456 O GLU A 99 -20.461 -13.024 -4.957 1.00 35.51 O ATOM 1457 CB GLU A 99 -19.992 -13.958 -2.176 1.00 63.42 C ATOM 1458 CG GLU A 99 -19.503 -15.358 -2.461 1.00 42.32 C ATOM 1459 CD GLU A 99 -20.216 -16.377 -1.617 1.00 30.22 C ATOM 1460 OE1 GLU A 99 -19.774 -16.628 -0.471 1.00 20.04 O ATOM 1461 OE2 GLU A 99 -21.230 -16.937 -2.070 1.00 65.12 O ATOM 0 H GLU A 99 -20.639 -11.370 -2.635 1.00 21.44 H new ATOM 0 HA GLU A 99 -18.165 -12.989 -2.650 1.00 15.33 H new ATOM 0 HB2 GLU A 99 -19.941 -13.783 -1.101 1.00 63.42 H new ATOM 0 HB3 GLU A 99 -21.042 -13.891 -2.461 1.00 63.42 H new ATOM 0 HG2 GLU A 99 -19.654 -15.589 -3.516 1.00 42.32 H new ATOM 0 HG3 GLU A 99 -18.431 -15.415 -2.272 1.00 42.32 H new ATOM 1468 N THR A 100 -18.241 -12.838 -5.054 1.00 3.10 N ATOM 1469 CA THR A 100 -18.196 -12.841 -6.485 1.00 71.45 C ATOM 1470 C THR A 100 -16.893 -13.463 -6.943 1.00 23.32 C ATOM 1471 O THR A 100 -16.012 -13.746 -6.127 1.00 64.04 O ATOM 1472 CB THR A 100 -18.375 -11.400 -7.092 1.00 43.42 C ATOM 1473 OG1 THR A 100 -18.592 -11.482 -8.513 1.00 74.02 O ATOM 1474 CG2 THR A 100 -17.154 -10.525 -6.832 1.00 31.11 C ATOM 0 H THR A 100 -17.327 -12.770 -4.606 1.00 3.10 H new ATOM 0 HA THR A 100 -19.034 -13.435 -6.850 1.00 71.45 H new ATOM 0 HB THR A 100 -19.239 -10.949 -6.605 1.00 43.42 H new ATOM 0 HG1 THR A 100 -18.704 -10.580 -8.879 1.00 74.02 H new ATOM 0 HG21 THR A 100 -17.315 -9.538 -7.266 1.00 31.11 H new ATOM 0 HG22 THR A 100 -16.998 -10.428 -5.758 1.00 31.11 H new ATOM 0 HG23 THR A 100 -16.275 -10.982 -7.287 1.00 31.11 H new ATOM 1482 N VAL A 101 -16.769 -13.662 -8.210 1.00 13.25 N ATOM 1483 CA VAL A 101 -15.606 -14.253 -8.757 1.00 62.30 C ATOM 1484 C VAL A 101 -14.825 -13.188 -9.512 1.00 13.34 C ATOM 1485 O VAL A 101 -15.387 -12.400 -10.272 1.00 32.41 O ATOM 1486 CB VAL A 101 -15.947 -15.474 -9.655 1.00 14.10 C ATOM 1487 CG1 VAL A 101 -16.890 -15.093 -10.769 1.00 41.32 C ATOM 1488 CG2 VAL A 101 -14.691 -16.124 -10.201 1.00 63.32 C ATOM 0 H VAL A 101 -17.481 -13.415 -8.898 1.00 13.25 H new ATOM 0 HA VAL A 101 -14.986 -14.643 -7.950 1.00 62.30 H new ATOM 0 HB VAL A 101 -16.455 -16.207 -9.029 1.00 14.10 H new ATOM 0 HG11 VAL A 101 -17.107 -15.971 -11.378 1.00 41.32 H new ATOM 0 HG12 VAL A 101 -17.817 -14.707 -10.345 1.00 41.32 H new ATOM 0 HG13 VAL A 101 -16.428 -14.326 -11.390 1.00 41.32 H new ATOM 0 HG21 VAL A 101 -14.964 -16.975 -10.825 1.00 63.32 H new ATOM 0 HG22 VAL A 101 -14.136 -15.400 -10.797 1.00 63.32 H new ATOM 0 HG23 VAL A 101 -14.069 -16.465 -9.374 1.00 63.32 H new ATOM 1498 N PHE A 102 -13.570 -13.138 -9.253 1.00 64.21 N ATOM 1499 CA PHE A 102 -12.701 -12.171 -9.818 1.00 45.44 C ATOM 1500 C PHE A 102 -11.413 -12.887 -10.197 1.00 11.22 C ATOM 1501 O PHE A 102 -10.707 -13.402 -9.322 1.00 13.41 O ATOM 1502 CB PHE A 102 -12.471 -11.107 -8.744 1.00 54.31 C ATOM 1503 CG PHE A 102 -11.702 -9.899 -9.140 1.00 72.15 C ATOM 1504 CD1 PHE A 102 -12.311 -8.884 -9.849 1.00 44.41 C ATOM 1505 CD2 PHE A 102 -10.385 -9.755 -8.773 1.00 15.02 C ATOM 1506 CE1 PHE A 102 -11.615 -7.749 -10.193 1.00 14.55 C ATOM 1507 CE2 PHE A 102 -9.689 -8.620 -9.108 1.00 42.42 C ATOM 1508 CZ PHE A 102 -10.302 -7.617 -9.819 1.00 13.10 C ATOM 0 H PHE A 102 -13.104 -13.790 -8.622 1.00 64.21 H new ATOM 0 HA PHE A 102 -13.103 -11.692 -10.711 1.00 45.44 H new ATOM 0 HB2 PHE A 102 -13.444 -10.782 -8.376 1.00 54.31 H new ATOM 0 HB3 PHE A 102 -11.954 -11.577 -7.907 1.00 54.31 H new ATOM 0 HD1 PHE A 102 -13.347 -8.982 -10.137 1.00 44.41 H new ATOM 0 HD2 PHE A 102 -9.894 -10.540 -8.217 1.00 15.02 H new ATOM 0 HE1 PHE A 102 -12.100 -6.965 -10.755 1.00 14.55 H new ATOM 0 HE2 PHE A 102 -8.656 -8.515 -8.811 1.00 42.42 H new ATOM 0 HZ PHE A 102 -9.751 -6.726 -10.083 1.00 13.10 H new ATOM 1518 N ARG A 103 -11.140 -12.965 -11.501 1.00 34.14 N ATOM 1519 CA ARG A 103 -9.987 -13.694 -12.057 1.00 44.01 C ATOM 1520 C ARG A 103 -9.969 -15.161 -11.623 1.00 43.32 C ATOM 1521 O ARG A 103 -8.912 -15.780 -11.486 1.00 43.34 O ATOM 1522 CB ARG A 103 -8.684 -12.991 -11.703 1.00 31.25 C ATOM 1523 CG ARG A 103 -8.585 -11.619 -12.325 1.00 13.52 C ATOM 1524 CD ARG A 103 -7.250 -10.980 -12.067 1.00 74.32 C ATOM 1525 NE ARG A 103 -6.150 -11.806 -12.572 1.00 11.23 N ATOM 1526 CZ ARG A 103 -5.302 -11.445 -13.530 1.00 73.00 C ATOM 1527 NH1 ARG A 103 -5.496 -10.318 -14.213 1.00 11.23 N ATOM 1528 NH2 ARG A 103 -4.294 -12.236 -13.836 1.00 13.03 N ATOM 0 H ARG A 103 -11.718 -12.520 -12.214 1.00 34.14 H new ATOM 0 HA ARG A 103 -10.090 -13.691 -13.142 1.00 44.01 H new ATOM 0 HB2 ARG A 103 -8.604 -12.903 -10.620 1.00 31.25 H new ATOM 0 HB3 ARG A 103 -7.843 -13.600 -12.036 1.00 31.25 H new ATOM 0 HG2 ARG A 103 -8.749 -11.695 -13.400 1.00 13.52 H new ATOM 0 HG3 ARG A 103 -9.375 -10.982 -11.927 1.00 13.52 H new ATOM 0 HD2 ARG A 103 -7.217 -10.000 -12.542 1.00 74.32 H new ATOM 0 HD3 ARG A 103 -7.124 -10.820 -10.996 1.00 74.32 H new ATOM 0 HE ARG A 103 -6.025 -12.729 -12.156 1.00 11.23 H new ATOM 0 HH11 ARG A 103 -6.299 -9.726 -14.002 1.00 11.23 H new ATOM 0 HH12 ARG A 103 -4.841 -10.047 -14.947 1.00 11.23 H new ATOM 0 HH21 ARG A 103 -4.169 -13.118 -13.339 1.00 13.03 H new ATOM 0 HH22 ARG A 103 -3.639 -11.967 -14.570 1.00 13.03 H new ATOM 1542 N GLY A 104 -11.149 -15.713 -11.470 1.00 21.03 N ATOM 1543 CA GLY A 104 -11.287 -17.108 -11.102 1.00 21.43 C ATOM 1544 C GLY A 104 -11.288 -17.332 -9.607 1.00 23.42 C ATOM 1545 O GLY A 104 -11.593 -18.432 -9.137 1.00 24.01 O ATOM 0 H GLY A 104 -12.032 -15.218 -11.594 1.00 21.03 H new ATOM 0 HA2 GLY A 104 -12.214 -17.498 -11.522 1.00 21.43 H new ATOM 0 HA3 GLY A 104 -10.471 -17.677 -11.548 1.00 21.43 H new ATOM 1549 N ARG A 105 -10.963 -16.305 -8.858 1.00 34.30 N ATOM 1550 CA ARG A 105 -10.942 -16.400 -7.419 1.00 3.15 C ATOM 1551 C ARG A 105 -12.216 -15.819 -6.876 1.00 14.30 C ATOM 1552 O ARG A 105 -12.736 -14.861 -7.424 1.00 50.41 O ATOM 1553 CB ARG A 105 -9.774 -15.616 -6.818 1.00 73.50 C ATOM 1554 CG ARG A 105 -8.383 -16.068 -7.213 1.00 2.44 C ATOM 1555 CD ARG A 105 -7.357 -15.263 -6.432 1.00 55.12 C ATOM 1556 NE ARG A 105 -5.973 -15.661 -6.685 1.00 51.20 N ATOM 1557 CZ ARG A 105 -4.940 -15.331 -5.894 1.00 11.24 C ATOM 1558 NH1 ARG A 105 -5.144 -14.594 -4.795 1.00 12.33 N ATOM 1559 NH2 ARG A 105 -3.700 -15.726 -6.213 1.00 42.32 N ATOM 0 H ARG A 105 -10.708 -15.388 -9.225 1.00 34.30 H new ATOM 0 HA ARG A 105 -10.834 -17.452 -7.154 1.00 3.15 H new ATOM 0 HB2 ARG A 105 -9.885 -14.569 -7.099 1.00 73.50 H new ATOM 0 HB3 ARG A 105 -9.853 -15.665 -5.732 1.00 73.50 H new ATOM 0 HG2 ARG A 105 -8.261 -17.132 -7.008 1.00 2.44 H new ATOM 0 HG3 ARG A 105 -8.233 -15.930 -8.284 1.00 2.44 H new ATOM 0 HD2 ARG A 105 -7.472 -14.208 -6.680 1.00 55.12 H new ATOM 0 HD3 ARG A 105 -7.565 -15.364 -5.367 1.00 55.12 H new ATOM 0 HE ARG A 105 -5.781 -16.224 -7.514 1.00 51.20 H new ATOM 0 HH11 ARG A 105 -6.086 -14.282 -4.558 1.00 12.33 H new ATOM 0 HH12 ARG A 105 -4.358 -14.344 -4.195 1.00 12.33 H new ATOM 0 HH21 ARG A 105 -3.541 -16.277 -7.057 1.00 42.32 H new ATOM 0 HH22 ARG A 105 -2.915 -15.476 -5.612 1.00 42.32 H new ATOM 1573 N THR A 106 -12.733 -16.382 -5.837 1.00 42.02 N ATOM 1574 CA THR A 106 -13.875 -15.808 -5.207 1.00 4.20 C ATOM 1575 C THR A 106 -13.364 -14.781 -4.219 1.00 41.43 C ATOM 1576 O THR A 106 -12.600 -15.117 -3.306 1.00 54.53 O ATOM 1577 CB THR A 106 -14.703 -16.884 -4.475 1.00 25.14 C ATOM 1578 OG1 THR A 106 -15.051 -17.930 -5.409 1.00 4.55 O ATOM 1579 CG2 THR A 106 -15.985 -16.287 -3.887 1.00 40.44 C ATOM 0 H THR A 106 -12.384 -17.238 -5.406 1.00 42.02 H new ATOM 0 HA THR A 106 -14.528 -15.350 -5.950 1.00 4.20 H new ATOM 0 HB THR A 106 -14.104 -17.287 -3.658 1.00 25.14 H new ATOM 0 HG1 THR A 106 -15.576 -18.618 -4.949 1.00 4.55 H new ATOM 0 HG21 THR A 106 -16.549 -17.068 -3.377 1.00 40.44 H new ATOM 0 HG22 THR A 106 -15.728 -15.502 -3.176 1.00 40.44 H new ATOM 0 HG23 THR A 106 -16.592 -15.866 -4.689 1.00 40.44 H new ATOM 1587 N ILE A 107 -13.745 -13.551 -4.399 1.00 14.31 N ATOM 1588 CA ILE A 107 -13.264 -12.510 -3.528 1.00 70.44 C ATOM 1589 C ILE A 107 -14.302 -12.134 -2.519 1.00 35.33 C ATOM 1590 O ILE A 107 -15.448 -12.588 -2.593 1.00 41.23 O ATOM 1591 CB ILE A 107 -12.831 -11.233 -4.295 1.00 41.54 C ATOM 1592 CG1 ILE A 107 -14.018 -10.627 -5.065 1.00 55.40 C ATOM 1593 CG2 ILE A 107 -11.667 -11.548 -5.230 1.00 33.12 C ATOM 1594 CD1 ILE A 107 -13.722 -9.288 -5.714 1.00 51.21 C ATOM 0 H ILE A 107 -14.382 -13.242 -5.133 1.00 14.31 H new ATOM 0 HA ILE A 107 -12.386 -12.922 -3.030 1.00 70.44 H new ATOM 0 HB ILE A 107 -12.495 -10.490 -3.572 1.00 41.54 H new ATOM 0 HG12 ILE A 107 -14.333 -11.330 -5.836 1.00 55.40 H new ATOM 0 HG13 ILE A 107 -14.858 -10.508 -4.380 1.00 55.40 H new ATOM 0 HG21 ILE A 107 -11.373 -10.643 -5.762 1.00 33.12 H new ATOM 0 HG22 ILE A 107 -10.823 -11.918 -4.648 1.00 33.12 H new ATOM 0 HG23 ILE A 107 -11.973 -12.308 -5.948 1.00 33.12 H new ATOM 0 HD11 ILE A 107 -14.611 -8.932 -6.235 1.00 51.21 H new ATOM 0 HD12 ILE A 107 -13.438 -8.567 -4.947 1.00 51.21 H new ATOM 0 HD13 ILE A 107 -12.905 -9.402 -6.426 1.00 51.21 H new ATOM 1606 N LYS A 108 -13.896 -11.329 -1.583 1.00 64.34 N ATOM 1607 CA LYS A 108 -14.731 -10.897 -0.503 1.00 44.12 C ATOM 1608 C LYS A 108 -14.688 -9.393 -0.430 1.00 61.41 C ATOM 1609 O LYS A 108 -13.617 -8.820 -0.365 1.00 61.34 O ATOM 1610 CB LYS A 108 -14.214 -11.511 0.817 1.00 60.30 C ATOM 1611 CG LYS A 108 -14.939 -11.055 2.087 1.00 20.20 C ATOM 1612 CD LYS A 108 -16.412 -11.432 2.088 1.00 42.42 C ATOM 1613 CE LYS A 108 -17.087 -10.954 3.365 1.00 21.43 C ATOM 1614 NZ LYS A 108 -18.514 -11.322 3.418 1.00 23.10 N ATOM 0 H LYS A 108 -12.952 -10.945 -1.549 1.00 64.34 H new ATOM 0 HA LYS A 108 -15.759 -11.222 -0.664 1.00 44.12 H new ATOM 0 HB2 LYS A 108 -14.290 -12.596 0.746 1.00 60.30 H new ATOM 0 HB3 LYS A 108 -13.156 -11.271 0.918 1.00 60.30 H new ATOM 0 HG2 LYS A 108 -14.454 -11.498 2.957 1.00 20.20 H new ATOM 0 HG3 LYS A 108 -14.845 -9.974 2.186 1.00 20.20 H new ATOM 0 HD2 LYS A 108 -16.906 -10.991 1.222 1.00 42.42 H new ATOM 0 HD3 LYS A 108 -16.516 -12.513 1.998 1.00 42.42 H new ATOM 0 HE2 LYS A 108 -16.572 -11.380 4.226 1.00 21.43 H new ATOM 0 HE3 LYS A 108 -16.991 -9.871 3.440 1.00 21.43 H new ATOM 0 HZ1 LYS A 108 -18.929 -10.975 4.306 1.00 23.10 H new ATOM 0 HZ2 LYS A 108 -19.013 -10.894 2.612 1.00 23.10 H new ATOM 0 HZ3 LYS A 108 -18.608 -12.357 3.374 1.00 23.10 H new ATOM 1628 N VAL A 109 -15.838 -8.770 -0.456 1.00 75.02 N ATOM 1629 CA VAL A 109 -15.933 -7.332 -0.338 1.00 4.30 C ATOM 1630 C VAL A 109 -16.653 -7.058 0.977 1.00 52.21 C ATOM 1631 O VAL A 109 -17.807 -7.448 1.153 1.00 34.15 O ATOM 1632 CB VAL A 109 -16.710 -6.700 -1.532 1.00 52.20 C ATOM 1633 CG1 VAL A 109 -16.679 -5.185 -1.463 1.00 54.12 C ATOM 1634 CG2 VAL A 109 -16.133 -7.175 -2.859 1.00 73.10 C ATOM 0 H VAL A 109 -16.736 -9.242 -0.559 1.00 75.02 H new ATOM 0 HA VAL A 109 -14.940 -6.883 -0.355 1.00 4.30 H new ATOM 0 HB VAL A 109 -17.748 -7.025 -1.463 1.00 52.20 H new ATOM 0 HG11 VAL A 109 -17.229 -4.771 -2.308 1.00 54.12 H new ATOM 0 HG12 VAL A 109 -17.140 -4.854 -0.533 1.00 54.12 H new ATOM 0 HG13 VAL A 109 -15.646 -4.840 -1.498 1.00 54.12 H new ATOM 0 HG21 VAL A 109 -16.689 -6.723 -3.680 1.00 73.10 H new ATOM 0 HG22 VAL A 109 -15.085 -6.882 -2.926 1.00 73.10 H new ATOM 0 HG23 VAL A 109 -16.211 -8.260 -2.922 1.00 73.10 H new ATOM 1644 N LEU A 110 -15.962 -6.439 1.892 1.00 51.44 N ATOM 1645 CA LEU A 110 -16.410 -6.270 3.267 1.00 72.33 C ATOM 1646 C LEU A 110 -16.039 -4.828 3.689 1.00 41.25 C ATOM 1647 O LEU A 110 -14.921 -4.449 3.495 1.00 43.13 O ATOM 1648 CB LEU A 110 -15.536 -7.314 4.062 1.00 71.21 C ATOM 1649 CG LEU A 110 -15.712 -7.560 5.583 1.00 23.12 C ATOM 1650 CD1 LEU A 110 -14.723 -8.612 6.060 1.00 74.24 C ATOM 1651 CD2 LEU A 110 -15.530 -6.323 6.391 1.00 43.04 C ATOM 0 H LEU A 110 -15.048 -6.024 1.710 1.00 51.44 H new ATOM 0 HA LEU A 110 -17.478 -6.419 3.429 1.00 72.33 H new ATOM 0 HB2 LEU A 110 -15.678 -8.277 3.572 1.00 71.21 H new ATOM 0 HB3 LEU A 110 -14.495 -7.029 3.910 1.00 71.21 H new ATOM 0 HG LEU A 110 -16.736 -7.904 5.727 1.00 23.12 H new ATOM 0 HD11 LEU A 110 -14.855 -8.777 7.129 1.00 74.24 H new ATOM 0 HD12 LEU A 110 -14.898 -9.545 5.524 1.00 74.24 H new ATOM 0 HD13 LEU A 110 -13.706 -8.269 5.869 1.00 74.24 H new ATOM 0 HD21 LEU A 110 -15.665 -6.555 7.447 1.00 43.04 H new ATOM 0 HD22 LEU A 110 -14.527 -5.928 6.231 1.00 43.04 H new ATOM 0 HD23 LEU A 110 -16.265 -5.578 6.087 1.00 43.04 H new ATOM 1663 N PRO A 111 -16.955 -3.993 4.236 1.00 24.32 N ATOM 1664 CA PRO A 111 -16.564 -2.660 4.720 1.00 54.13 C ATOM 1665 C PRO A 111 -15.698 -2.798 5.972 1.00 62.20 C ATOM 1666 O PRO A 111 -16.119 -3.401 6.965 1.00 53.12 O ATOM 1667 CB PRO A 111 -17.895 -1.996 5.088 1.00 41.12 C ATOM 1668 CG PRO A 111 -18.944 -2.852 4.462 1.00 2.32 C ATOM 1669 CD PRO A 111 -18.381 -4.242 4.418 1.00 42.45 C ATOM 0 HA PRO A 111 -15.992 -2.093 3.985 1.00 54.13 H new ATOM 0 HB2 PRO A 111 -18.023 -1.943 6.169 1.00 41.12 H new ATOM 0 HB3 PRO A 111 -17.943 -0.974 4.711 1.00 41.12 H new ATOM 0 HG2 PRO A 111 -19.866 -2.824 5.042 1.00 2.32 H new ATOM 0 HG3 PRO A 111 -19.187 -2.499 3.460 1.00 2.32 H new ATOM 0 HD2 PRO A 111 -18.584 -4.792 5.337 1.00 42.45 H new ATOM 0 HD3 PRO A 111 -18.800 -4.825 3.598 1.00 42.45 H new ATOM 1677 N LYS A 112 -14.547 -2.169 5.966 1.00 72.34 N ATOM 1678 CA LYS A 112 -13.562 -2.402 7.021 1.00 41.44 C ATOM 1679 C LYS A 112 -13.926 -1.608 8.294 1.00 11.44 C ATOM 1680 O LYS A 112 -13.309 -1.753 9.335 1.00 62.14 O ATOM 1681 CB LYS A 112 -12.143 -2.071 6.486 1.00 75.23 C ATOM 1682 CG LYS A 112 -11.013 -3.033 6.944 1.00 54.05 C ATOM 1683 CD LYS A 112 -10.721 -3.028 8.444 1.00 12.10 C ATOM 1684 CE LYS A 112 -10.123 -1.710 8.906 1.00 42.30 C ATOM 1685 NZ LYS A 112 -9.818 -1.722 10.354 1.00 71.12 N ATOM 0 H LYS A 112 -14.262 -1.496 5.254 1.00 72.34 H new ATOM 0 HA LYS A 112 -13.568 -3.454 7.308 1.00 41.44 H new ATOM 0 HB2 LYS A 112 -12.176 -2.070 5.396 1.00 75.23 H new ATOM 0 HB3 LYS A 112 -11.883 -1.059 6.798 1.00 75.23 H new ATOM 0 HG2 LYS A 112 -11.278 -4.047 6.645 1.00 54.05 H new ATOM 0 HG3 LYS A 112 -10.098 -2.773 6.411 1.00 54.05 H new ATOM 0 HD2 LYS A 112 -11.643 -3.219 8.993 1.00 12.10 H new ATOM 0 HD3 LYS A 112 -10.034 -3.840 8.682 1.00 12.10 H new ATOM 0 HE2 LYS A 112 -9.211 -1.508 8.344 1.00 42.30 H new ATOM 0 HE3 LYS A 112 -10.818 -0.899 8.688 1.00 42.30 H new ATOM 0 HZ1 LYS A 112 -9.412 -0.806 10.631 1.00 71.12 H new ATOM 0 HZ2 LYS A 112 -10.692 -1.890 10.892 1.00 71.12 H new ATOM 0 HZ3 LYS A 112 -9.135 -2.479 10.559 1.00 71.12 H new ATOM 2166 N GLY B 21 -7.200 -6.150 9.827 1.00 61.45 N ATOM 2167 CA GLY B 21 -8.627 -6.159 9.539 1.00 33.33 C ATOM 2168 C GLY B 21 -9.171 -7.548 9.716 1.00 75.11 C ATOM 2169 O GLY B 21 -9.028 -8.139 10.778 1.00 72.20 O ATOM 0 HA2 GLY B 21 -9.146 -5.468 10.203 1.00 33.33 H new ATOM 0 HA3 GLY B 21 -8.804 -5.816 8.520 1.00 33.33 H new ATOM 2173 N PRO B 22 -9.828 -8.090 8.690 1.00 53.10 N ATOM 2174 CA PRO B 22 -10.262 -9.491 8.677 1.00 52.02 C ATOM 2175 C PRO B 22 -9.121 -10.520 8.980 1.00 62.52 C ATOM 2176 O PRO B 22 -9.396 -11.529 9.630 1.00 1.00 O ATOM 2177 CB PRO B 22 -10.837 -9.676 7.281 1.00 32.41 C ATOM 2178 CG PRO B 22 -11.300 -8.312 6.923 1.00 42.44 C ATOM 2179 CD PRO B 22 -10.274 -7.379 7.483 1.00 43.10 C ATOM 0 HA PRO B 22 -10.981 -9.687 9.473 1.00 52.02 H new ATOM 0 HB2 PRO B 22 -10.086 -10.043 6.581 1.00 32.41 H new ATOM 0 HB3 PRO B 22 -11.657 -10.394 7.275 1.00 32.41 H new ATOM 0 HG2 PRO B 22 -11.385 -8.198 5.842 1.00 42.44 H new ATOM 0 HG3 PRO B 22 -12.285 -8.109 7.343 1.00 42.44 H new ATOM 0 HD2 PRO B 22 -9.454 -7.210 6.785 1.00 43.10 H new ATOM 0 HD3 PRO B 22 -10.698 -6.403 7.719 1.00 43.10 H new ATOM 2187 N PRO B 23 -7.829 -10.320 8.489 1.00 54.40 N ATOM 2188 CA PRO B 23 -6.713 -11.181 8.895 1.00 13.13 C ATOM 2189 C PRO B 23 -6.575 -11.214 10.393 1.00 64.45 C ATOM 2190 O PRO B 23 -6.567 -10.167 11.065 1.00 34.14 O ATOM 2191 CB PRO B 23 -5.489 -10.521 8.267 1.00 52.12 C ATOM 2192 CG PRO B 23 -6.027 -9.821 7.086 1.00 71.32 C ATOM 2193 CD PRO B 23 -7.377 -9.317 7.496 1.00 3.12 C ATOM 0 HA PRO B 23 -6.851 -12.214 8.577 1.00 13.13 H new ATOM 0 HB2 PRO B 23 -5.011 -9.827 8.959 1.00 52.12 H new ATOM 0 HB3 PRO B 23 -4.738 -11.259 7.986 1.00 52.12 H new ATOM 0 HG2 PRO B 23 -5.376 -8.999 6.787 1.00 71.32 H new ATOM 0 HG3 PRO B 23 -6.103 -10.494 6.232 1.00 71.32 H new ATOM 0 HD2 PRO B 23 -7.319 -8.319 7.930 1.00 3.12 H new ATOM 0 HD3 PRO B 23 -8.058 -9.256 6.647 1.00 3.12 H new ATOM 2201 N GLN B 24 -6.501 -12.412 10.897 1.00 12.53 N ATOM 2202 CA GLN B 24 -6.380 -12.687 12.303 1.00 5.11 C ATOM 2203 C GLN B 24 -5.190 -11.941 12.915 1.00 0.42 C ATOM 2204 O GLN B 24 -4.142 -11.801 12.272 1.00 44.43 O ATOM 2205 CB GLN B 24 -6.228 -14.210 12.547 1.00 60.31 C ATOM 2206 CG GLN B 24 -4.947 -14.849 11.974 1.00 64.13 C ATOM 2207 CD GLN B 24 -4.833 -14.835 10.461 1.00 63.14 C ATOM 2208 OE1 GLN B 24 -5.834 -14.871 9.736 1.00 52.00 O ATOM 2209 NE2 GLN B 24 -3.623 -14.768 9.975 1.00 75.11 N ATOM 0 H GLN B 24 -6.524 -13.254 10.322 1.00 12.53 H new ATOM 0 HA GLN B 24 -7.291 -12.336 12.788 1.00 5.11 H new ATOM 0 HB2 GLN B 24 -6.255 -14.393 13.621 1.00 60.31 H new ATOM 0 HB3 GLN B 24 -7.091 -14.717 12.115 1.00 60.31 H new ATOM 0 HG2 GLN B 24 -4.084 -14.329 12.391 1.00 64.13 H new ATOM 0 HG3 GLN B 24 -4.893 -15.883 12.316 1.00 64.13 H new ATOM 0 HE21 GLN B 24 -2.821 -14.740 10.605 1.00 75.11 H new ATOM 0 HE22 GLN B 24 -3.480 -14.744 8.965 1.00 75.11 H new ATOM 2218 N PRO B 25 -5.345 -11.430 14.145 1.00 43.22 N ATOM 2219 CA PRO B 25 -4.280 -10.734 14.826 1.00 60.53 C ATOM 2220 C PRO B 25 -3.106 -11.650 15.075 1.00 53.11 C ATOM 2221 O PRO B 25 -3.212 -12.661 15.803 1.00 4.25 O ATOM 2222 CB PRO B 25 -4.891 -10.303 16.160 1.00 64.51 C ATOM 2223 CG PRO B 25 -6.352 -10.419 15.977 1.00 72.23 C ATOM 2224 CD PRO B 25 -6.567 -11.487 14.956 1.00 4.40 C ATOM 0 HA PRO B 25 -3.906 -9.895 14.239 1.00 60.53 H new ATOM 0 HB2 PRO B 25 -4.545 -10.939 16.975 1.00 64.51 H new ATOM 0 HB3 PRO B 25 -4.606 -9.281 16.411 1.00 64.51 H new ATOM 0 HG2 PRO B 25 -6.842 -10.676 16.916 1.00 72.23 H new ATOM 0 HG3 PRO B 25 -6.778 -9.472 15.644 1.00 72.23 H new ATOM 0 HD2 PRO B 25 -6.697 -12.465 15.419 1.00 4.40 H new ATOM 0 HD3 PRO B 25 -7.457 -11.297 14.356 1.00 4.40 H new ATOM 2232 N LEU B 26 -2.022 -11.336 14.429 1.00 74.54 N ATOM 2233 CA LEU B 26 -0.768 -12.048 14.601 1.00 30.02 C ATOM 2234 C LEU B 26 -0.298 -11.919 16.022 1.00 42.22 C ATOM 2235 O LEU B 26 -0.813 -11.068 16.785 1.00 74.53 O ATOM 2236 CB LEU B 26 0.336 -11.506 13.685 1.00 21.21 C ATOM 2237 CG LEU B 26 0.185 -11.696 12.175 1.00 0.34 C ATOM 2238 CD1 LEU B 26 -0.941 -10.867 11.601 1.00 60.44 C ATOM 2239 CD2 LEU B 26 1.478 -11.368 11.505 1.00 1.14 C ATOM 0 H LEU B 26 -1.972 -10.570 13.757 1.00 74.54 H new ATOM 0 HA LEU B 26 -0.958 -13.090 14.343 1.00 30.02 H new ATOM 0 HB2 LEU B 26 0.433 -10.437 13.877 1.00 21.21 H new ATOM 0 HB3 LEU B 26 1.275 -11.970 13.986 1.00 21.21 H new ATOM 0 HG LEU B 26 -0.072 -12.739 11.989 1.00 0.34 H new ATOM 0 HD11 LEU B 26 -1.007 -11.037 10.526 1.00 60.44 H new ATOM 0 HD12 LEU B 26 -1.881 -11.154 12.072 1.00 60.44 H new ATOM 0 HD13 LEU B 26 -0.748 -9.811 11.790 1.00 60.44 H new ATOM 0 HD21 LEU B 26 1.374 -11.502 10.428 1.00 1.14 H new ATOM 0 HD22 LEU B 26 1.746 -10.333 11.717 1.00 1.14 H new ATOM 0 HD23 LEU B 26 2.260 -12.029 11.879 1.00 1.14 H new ATOM 2251 N SER B 27 0.657 -12.737 16.397 1.00 52.12 N ATOM 2252 CA SER B 27 1.220 -12.652 17.712 1.00 41.04 C ATOM 2253 C SER B 27 1.804 -11.268 17.918 1.00 3.45 C ATOM 2254 O SER B 27 2.332 -10.666 16.974 1.00 23.15 O ATOM 2255 CB SER B 27 2.331 -13.658 17.837 1.00 64.10 C ATOM 2256 OG SER B 27 1.885 -14.957 17.529 1.00 51.21 O ATOM 0 H SER B 27 1.056 -13.466 15.806 1.00 52.12 H new ATOM 0 HA SER B 27 0.445 -12.848 18.453 1.00 41.04 H new ATOM 0 HB2 SER B 27 3.148 -13.385 17.170 1.00 64.10 H new ATOM 0 HB3 SER B 27 2.728 -13.639 18.852 1.00 64.10 H new ATOM 0 HG SER B 27 2.519 -15.384 16.915 1.00 51.21 H new ATOM 2262 N ALA B 28 1.704 -10.776 19.121 1.00 41.21 N ATOM 2263 CA ALA B 28 2.239 -9.481 19.467 1.00 34.51 C ATOM 2264 C ALA B 28 3.708 -9.350 19.069 1.00 71.44 C ATOM 2265 O ALA B 28 4.104 -8.360 18.493 1.00 41.51 O ATOM 2266 CB ALA B 28 2.036 -9.171 20.940 1.00 64.21 C ATOM 0 H ALA B 28 1.248 -11.260 19.895 1.00 41.21 H new ATOM 0 HA ALA B 28 1.681 -8.740 18.894 1.00 34.51 H new ATOM 0 HB1 ALA B 28 2.451 -8.189 21.166 1.00 64.21 H new ATOM 0 HB2 ALA B 28 0.970 -9.177 21.169 1.00 64.21 H new ATOM 0 HB3 ALA B 28 2.541 -9.925 21.544 1.00 64.21 H new ATOM 2272 N GLU B 29 4.500 -10.371 19.339 1.00 2.20 N ATOM 2273 CA GLU B 29 5.906 -10.330 18.979 1.00 51.40 C ATOM 2274 C GLU B 29 6.134 -10.437 17.482 1.00 52.24 C ATOM 2275 O GLU B 29 7.080 -9.851 16.958 1.00 22.52 O ATOM 2276 CB GLU B 29 6.732 -11.291 19.788 1.00 53.10 C ATOM 2277 CG GLU B 29 6.718 -10.925 21.253 1.00 35.04 C ATOM 2278 CD GLU B 29 7.596 -11.810 22.085 1.00 71.42 C ATOM 2279 OE1 GLU B 29 7.128 -12.884 22.516 1.00 60.31 O ATOM 2280 OE2 GLU B 29 8.762 -11.452 22.329 1.00 22.41 O ATOM 0 H GLU B 29 4.199 -11.229 19.801 1.00 2.20 H new ATOM 0 HA GLU B 29 6.267 -9.338 19.248 1.00 51.40 H new ATOM 0 HB2 GLU B 29 6.347 -12.303 19.660 1.00 53.10 H new ATOM 0 HB3 GLU B 29 7.758 -11.291 19.420 1.00 53.10 H new ATOM 0 HG2 GLU B 29 7.042 -9.890 21.367 1.00 35.04 H new ATOM 0 HG3 GLU B 29 5.696 -10.982 21.627 1.00 35.04 H new ATOM 2287 N GLU B 30 5.245 -11.153 16.783 1.00 33.44 N ATOM 2288 CA GLU B 30 5.256 -11.134 15.321 1.00 41.32 C ATOM 2289 C GLU B 30 5.024 -9.735 14.833 1.00 35.31 C ATOM 2290 O GLU B 30 5.604 -9.312 13.845 1.00 71.11 O ATOM 2291 CB GLU B 30 4.231 -12.082 14.674 1.00 42.11 C ATOM 2292 CG GLU B 30 4.712 -13.499 14.440 1.00 74.20 C ATOM 2293 CD GLU B 30 4.971 -14.297 15.687 1.00 21.02 C ATOM 2294 OE1 GLU B 30 5.990 -14.099 16.346 1.00 62.20 O ATOM 2295 OE2 GLU B 30 4.165 -15.166 16.004 1.00 21.20 O ATOM 0 H GLU B 30 4.523 -11.741 17.199 1.00 33.44 H new ATOM 0 HA GLU B 30 6.239 -11.495 15.019 1.00 41.32 H new ATOM 0 HB2 GLU B 30 3.344 -12.117 15.307 1.00 42.11 H new ATOM 0 HB3 GLU B 30 3.923 -11.659 13.718 1.00 42.11 H new ATOM 0 HG2 GLU B 30 3.970 -14.024 13.839 1.00 74.20 H new ATOM 0 HG3 GLU B 30 5.630 -13.463 13.853 1.00 74.20 H new ATOM 2302 N LYS B 31 4.203 -8.999 15.572 1.00 70.41 N ATOM 2303 CA LYS B 31 3.887 -7.651 15.236 1.00 21.23 C ATOM 2304 C LYS B 31 5.116 -6.791 15.353 1.00 4.41 C ATOM 2305 O LYS B 31 5.413 -6.038 14.455 1.00 10.02 O ATOM 2306 CB LYS B 31 2.753 -7.108 16.108 1.00 13.42 C ATOM 2307 CG LYS B 31 1.406 -7.807 15.904 1.00 23.43 C ATOM 2308 CD LYS B 31 0.945 -7.733 14.451 1.00 44.52 C ATOM 2309 CE LYS B 31 0.916 -6.311 13.959 1.00 3.41 C ATOM 2310 NZ LYS B 31 0.847 -6.154 12.505 1.00 64.31 N ATOM 0 H LYS B 31 3.746 -9.337 16.419 1.00 70.41 H new ATOM 0 HA LYS B 31 3.539 -7.628 14.203 1.00 21.23 H new ATOM 0 HB2 LYS B 31 3.041 -7.200 17.155 1.00 13.42 H new ATOM 0 HB3 LYS B 31 2.631 -6.044 15.903 1.00 13.42 H new ATOM 0 HG2 LYS B 31 1.488 -8.851 16.207 1.00 23.43 H new ATOM 0 HG3 LYS B 31 0.656 -7.347 16.547 1.00 23.43 H new ATOM 0 HD2 LYS B 31 1.614 -8.323 13.824 1.00 44.52 H new ATOM 0 HD3 LYS B 31 -0.048 -8.172 14.359 1.00 44.52 H new ATOM 0 HE2 LYS B 31 0.058 -5.807 14.404 1.00 3.41 H new ATOM 0 HE3 LYS B 31 1.808 -5.800 14.321 1.00 3.41 H new ATOM 0 HZ1 LYS B 31 0.215 -5.362 12.271 1.00 64.31 H new ATOM 0 HZ2 LYS B 31 1.798 -5.960 12.131 1.00 64.31 H new ATOM 0 HZ3 LYS B 31 0.479 -7.028 12.079 1.00 64.31 H new ATOM 2324 N LYS B 32 5.859 -6.930 16.464 1.00 4.44 N ATOM 2325 CA LYS B 32 7.107 -6.186 16.628 1.00 22.43 C ATOM 2326 C LYS B 32 8.029 -6.414 15.442 1.00 42.31 C ATOM 2327 O LYS B 32 8.556 -5.471 14.876 1.00 62.01 O ATOM 2328 CB LYS B 32 7.884 -6.596 17.920 1.00 21.55 C ATOM 2329 CG LYS B 32 7.459 -6.022 19.313 1.00 72.44 C ATOM 2330 CD LYS B 32 6.069 -6.417 19.813 1.00 25.54 C ATOM 2331 CE LYS B 32 4.958 -5.621 19.171 1.00 61.31 C ATOM 2332 NZ LYS B 32 5.046 -4.191 19.515 1.00 14.04 N ATOM 0 H LYS B 32 5.619 -7.540 17.245 1.00 4.44 H new ATOM 0 HA LYS B 32 6.822 -5.137 16.703 1.00 22.43 H new ATOM 0 HB2 LYS B 32 7.840 -7.683 17.992 1.00 21.55 H new ATOM 0 HB3 LYS B 32 8.929 -6.329 17.766 1.00 21.55 H new ATOM 0 HG2 LYS B 32 8.192 -6.342 20.053 1.00 72.44 H new ATOM 0 HG3 LYS B 32 7.509 -4.934 19.264 1.00 72.44 H new ATOM 0 HD2 LYS B 32 5.907 -7.477 19.618 1.00 25.54 H new ATOM 0 HD3 LYS B 32 6.027 -6.282 20.894 1.00 25.54 H new ATOM 0 HE2 LYS B 32 5.004 -5.739 18.088 1.00 61.31 H new ATOM 0 HE3 LYS B 32 3.994 -6.015 19.494 1.00 61.31 H new ATOM 0 HZ1 LYS B 32 4.118 -3.742 19.375 1.00 14.04 H new ATOM 0 HZ2 LYS B 32 5.332 -4.090 20.510 1.00 14.04 H new ATOM 0 HZ3 LYS B 32 5.750 -3.730 18.904 1.00 14.04 H new ATOM 2346 N GLU B 33 8.175 -7.662 15.046 1.00 51.23 N ATOM 2347 CA GLU B 33 9.113 -8.033 14.006 1.00 61.14 C ATOM 2348 C GLU B 33 8.716 -7.527 12.630 1.00 44.13 C ATOM 2349 O GLU B 33 9.536 -6.958 11.931 1.00 22.04 O ATOM 2350 CB GLU B 33 9.361 -9.529 14.007 1.00 2.30 C ATOM 2351 CG GLU B 33 10.019 -10.009 15.281 1.00 55.42 C ATOM 2352 CD GLU B 33 10.233 -11.506 15.302 1.00 20.42 C ATOM 2353 OE1 GLU B 33 11.172 -12.007 14.647 1.00 63.42 O ATOM 2354 OE2 GLU B 33 9.483 -12.207 16.002 1.00 4.34 O ATOM 0 H GLU B 33 7.649 -8.445 15.434 1.00 51.23 H new ATOM 0 HA GLU B 33 10.052 -7.532 14.242 1.00 61.14 H new ATOM 0 HB2 GLU B 33 8.413 -10.051 13.873 1.00 2.30 H new ATOM 0 HB3 GLU B 33 9.991 -9.790 13.157 1.00 2.30 H new ATOM 0 HG2 GLU B 33 10.980 -9.508 15.400 1.00 55.42 H new ATOM 0 HG3 GLU B 33 9.403 -9.723 16.133 1.00 55.42 H new ATOM 2361 N ILE B 34 7.465 -7.689 12.272 1.00 73.42 N ATOM 2362 CA ILE B 34 7.005 -7.270 10.945 1.00 4.20 C ATOM 2363 C ILE B 34 6.990 -5.748 10.803 1.00 30.04 C ATOM 2364 O ILE B 34 7.322 -5.214 9.743 1.00 32.42 O ATOM 2365 CB ILE B 34 5.658 -7.910 10.526 1.00 1.31 C ATOM 2366 CG1 ILE B 34 4.546 -7.616 11.534 1.00 15.31 C ATOM 2367 CG2 ILE B 34 5.840 -9.416 10.333 1.00 1.03 C ATOM 2368 CD1 ILE B 34 3.213 -8.223 11.162 1.00 31.21 C ATOM 0 H ILE B 34 6.745 -8.102 12.864 1.00 73.42 H new ATOM 0 HA ILE B 34 7.741 -7.656 10.240 1.00 4.20 H new ATOM 0 HB ILE B 34 5.350 -7.463 9.581 1.00 1.31 H new ATOM 0 HG12 ILE B 34 4.846 -7.992 12.512 1.00 15.31 H new ATOM 0 HG13 ILE B 34 4.430 -6.536 11.629 1.00 15.31 H new ATOM 0 HG21 ILE B 34 4.890 -9.862 10.038 1.00 1.03 H new ATOM 0 HG22 ILE B 34 6.582 -9.596 9.555 1.00 1.03 H new ATOM 0 HG23 ILE B 34 6.177 -9.864 11.267 1.00 1.03 H new ATOM 0 HD11 ILE B 34 2.474 -7.972 11.923 1.00 31.21 H new ATOM 0 HD12 ILE B 34 2.890 -7.829 10.199 1.00 31.21 H new ATOM 0 HD13 ILE B 34 3.312 -9.306 11.096 1.00 31.21 H new ATOM 2380 N ASP B 35 6.658 -5.049 11.892 1.00 64.30 N ATOM 2381 CA ASP B 35 6.661 -3.584 11.891 1.00 71.04 C ATOM 2382 C ASP B 35 8.085 -3.044 11.739 1.00 42.51 C ATOM 2383 O ASP B 35 8.310 -2.037 11.074 1.00 43.31 O ATOM 2384 CB ASP B 35 6.021 -3.006 13.167 1.00 42.30 C ATOM 2385 CG ASP B 35 4.482 -2.962 13.183 1.00 75.31 C ATOM 2386 OD1 ASP B 35 3.817 -3.986 13.508 1.00 4.44 O ATOM 2387 OD2 ASP B 35 3.929 -1.865 12.947 1.00 12.55 O ATOM 0 H ASP B 35 6.385 -5.471 12.780 1.00 64.30 H new ATOM 0 HA ASP B 35 6.062 -3.266 11.038 1.00 71.04 H new ATOM 0 HB2 ASP B 35 6.358 -3.596 14.019 1.00 42.30 H new ATOM 0 HB3 ASP B 35 6.396 -1.993 13.312 1.00 42.30 H new ATOM 2392 N LYS B 36 9.051 -3.751 12.328 1.00 31.22 N ATOM 2393 CA LYS B 36 10.473 -3.347 12.279 1.00 13.12 C ATOM 2394 C LYS B 36 11.106 -3.621 10.926 1.00 30.33 C ATOM 2395 O LYS B 36 12.221 -3.181 10.666 1.00 4.12 O ATOM 2396 CB LYS B 36 11.308 -4.084 13.346 1.00 42.33 C ATOM 2397 CG LYS B 36 11.023 -3.700 14.789 1.00 40.32 C ATOM 2398 CD LYS B 36 11.870 -4.530 15.775 1.00 2.51 C ATOM 2399 CE LYS B 36 11.489 -6.003 15.760 1.00 13.30 C ATOM 2400 NZ LYS B 36 12.272 -6.798 16.723 1.00 1.32 N ATOM 0 H LYS B 36 8.882 -4.611 12.849 1.00 31.22 H new ATOM 0 HA LYS B 36 10.477 -2.274 12.470 1.00 13.12 H new ATOM 0 HB2 LYS B 36 11.141 -5.155 13.235 1.00 42.33 H new ATOM 0 HB3 LYS B 36 12.364 -3.903 13.143 1.00 42.33 H new ATOM 0 HG2 LYS B 36 11.232 -2.640 14.932 1.00 40.32 H new ATOM 0 HG3 LYS B 36 9.965 -3.848 15.003 1.00 40.32 H new ATOM 0 HD2 LYS B 36 12.925 -4.427 15.522 1.00 2.51 H new ATOM 0 HD3 LYS B 36 11.744 -4.134 16.783 1.00 2.51 H new ATOM 0 HE2 LYS B 36 10.428 -6.103 15.989 1.00 13.30 H new ATOM 0 HE3 LYS B 36 11.638 -6.403 14.757 1.00 13.30 H new ATOM 0 HZ1 LYS B 36 11.975 -7.793 16.674 1.00 1.32 H new ATOM 0 HZ2 LYS B 36 13.283 -6.727 16.491 1.00 1.32 H new ATOM 0 HZ3 LYS B 36 12.111 -6.436 17.684 1.00 1.32 H new ATOM 2414 N ARG B 37 10.427 -4.352 10.088 1.00 32.43 N ATOM 2415 CA ARG B 37 11.007 -4.767 8.827 1.00 41.41 C ATOM 2416 C ARG B 37 10.218 -4.214 7.662 1.00 3.40 C ATOM 2417 O ARG B 37 10.335 -4.682 6.531 1.00 71.44 O ATOM 2418 CB ARG B 37 11.059 -6.289 8.788 1.00 2.13 C ATOM 2419 CG ARG B 37 11.820 -6.860 9.963 1.00 61.33 C ATOM 2420 CD ARG B 37 11.778 -8.358 10.024 1.00 31.12 C ATOM 2421 NE ARG B 37 12.338 -8.831 11.295 1.00 44.25 N ATOM 2422 CZ ARG B 37 12.258 -10.080 11.756 1.00 20.14 C ATOM 2423 NH1 ARG B 37 11.844 -11.055 10.972 1.00 61.13 N ATOM 2424 NH2 ARG B 37 12.641 -10.349 12.996 1.00 62.30 N ATOM 0 H ARG B 37 9.473 -4.676 10.248 1.00 32.43 H new ATOM 0 HA ARG B 37 12.019 -4.372 8.742 1.00 41.41 H new ATOM 0 HB2 ARG B 37 10.044 -6.686 8.786 1.00 2.13 H new ATOM 0 HB3 ARG B 37 11.530 -6.612 7.860 1.00 2.13 H new ATOM 0 HG2 ARG B 37 12.859 -6.534 9.907 1.00 61.33 H new ATOM 0 HG3 ARG B 37 11.408 -6.454 10.887 1.00 61.33 H new ATOM 0 HD2 ARG B 37 10.750 -8.704 9.920 1.00 31.12 H new ATOM 0 HD3 ARG B 37 12.342 -8.779 9.191 1.00 31.12 H new ATOM 0 HE ARG B 37 12.829 -8.149 11.873 1.00 44.25 H new ATOM 0 HH11 ARG B 37 11.582 -10.857 10.006 1.00 61.13 H new ATOM 0 HH12 ARG B 37 11.785 -12.008 11.331 1.00 61.13 H new ATOM 0 HH21 ARG B 37 12.995 -9.602 13.594 1.00 62.30 H new ATOM 0 HH22 ARG B 37 12.581 -11.303 13.353 1.00 62.30 H new ATOM 2438 N SER B 38 9.439 -3.212 7.930 1.00 53.55 N ATOM 2439 CA SER B 38 8.662 -2.595 6.908 1.00 31.05 C ATOM 2440 C SER B 38 9.333 -1.315 6.388 1.00 14.12 C ATOM 2441 O SER B 38 10.138 -0.686 7.095 1.00 2.01 O ATOM 2442 CB SER B 38 7.270 -2.312 7.427 1.00 45.11 C ATOM 2443 OG SER B 38 7.303 -1.430 8.540 1.00 21.22 O ATOM 0 H SER B 38 9.326 -2.803 8.858 1.00 53.55 H new ATOM 0 HA SER B 38 8.590 -3.281 6.064 1.00 31.05 H new ATOM 0 HB2 SER B 38 6.665 -1.875 6.632 1.00 45.11 H new ATOM 0 HB3 SER B 38 6.790 -3.247 7.716 1.00 45.11 H new ATOM 0 HG SER B 38 7.645 -1.907 9.325 1.00 21.22 H new ATOM 2449 N VAL B 39 8.999 -0.926 5.173 1.00 54.01 N ATOM 2450 CA VAL B 39 9.551 0.273 4.567 1.00 50.43 C ATOM 2451 C VAL B 39 8.470 1.054 3.855 1.00 40.43 C ATOM 2452 O VAL B 39 7.400 0.530 3.567 1.00 43.44 O ATOM 2453 CB VAL B 39 10.750 0.017 3.579 1.00 54.35 C ATOM 2454 CG1 VAL B 39 11.908 -0.677 4.267 1.00 30.11 C ATOM 2455 CG2 VAL B 39 10.319 -0.753 2.343 1.00 70.25 C ATOM 0 H VAL B 39 8.340 -1.429 4.579 1.00 54.01 H new ATOM 0 HA VAL B 39 9.958 0.848 5.398 1.00 50.43 H new ATOM 0 HB VAL B 39 11.094 0.998 3.252 1.00 54.35 H new ATOM 0 HG11 VAL B 39 12.715 -0.835 3.551 1.00 30.11 H new ATOM 0 HG12 VAL B 39 12.268 -0.057 5.088 1.00 30.11 H new ATOM 0 HG13 VAL B 39 11.576 -1.639 4.658 1.00 30.11 H new ATOM 0 HG21 VAL B 39 11.179 -0.906 1.691 1.00 70.25 H new ATOM 0 HG22 VAL B 39 9.913 -1.720 2.640 1.00 70.25 H new ATOM 0 HG23 VAL B 39 9.556 -0.187 1.809 1.00 70.25 H new ATOM 2465 N TYR B 40 8.780 2.270 3.571 1.00 14.55 N ATOM 2466 CA TYR B 40 7.946 3.216 2.915 1.00 72.41 C ATOM 2467 C TYR B 40 8.577 3.558 1.615 1.00 24.11 C ATOM 2468 O TYR B 40 9.734 3.958 1.570 1.00 44.35 O ATOM 2469 CB TYR B 40 7.819 4.491 3.774 1.00 35.41 C ATOM 2470 CG TYR B 40 7.274 5.722 3.042 1.00 41.13 C ATOM 2471 CD1 TYR B 40 5.932 5.853 2.728 1.00 13.42 C ATOM 2472 CD2 TYR B 40 8.128 6.752 2.672 1.00 34.25 C ATOM 2473 CE1 TYR B 40 5.458 6.967 2.071 1.00 33.02 C ATOM 2474 CE2 TYR B 40 7.670 7.866 2.020 1.00 44.03 C ATOM 2475 CZ TYR B 40 6.327 7.970 1.721 1.00 3.52 C ATOM 2476 OH TYR B 40 5.853 9.083 1.063 1.00 1.41 O ATOM 0 H TYR B 40 9.692 2.659 3.809 1.00 14.55 H new ATOM 0 HA TYR B 40 6.951 2.797 2.762 1.00 72.41 H new ATOM 0 HB2 TYR B 40 7.168 4.275 4.621 1.00 35.41 H new ATOM 0 HB3 TYR B 40 8.801 4.735 4.180 1.00 35.41 H new ATOM 0 HD1 TYR B 40 5.244 5.067 3.003 1.00 13.42 H new ATOM 0 HD2 TYR B 40 9.180 6.673 2.904 1.00 34.25 H new ATOM 0 HE1 TYR B 40 4.408 7.051 1.833 1.00 33.02 H new ATOM 0 HE2 TYR B 40 8.353 8.655 1.743 1.00 44.03 H new ATOM 0 HH TYR B 40 6.594 9.700 0.888 1.00 1.41 H new ATOM 2486 N VAL B 41 7.856 3.357 0.591 1.00 64.25 N ATOM 2487 CA VAL B 41 8.248 3.689 -0.724 1.00 4.22 C ATOM 2488 C VAL B 41 7.353 4.813 -1.194 1.00 31.24 C ATOM 2489 O VAL B 41 6.172 4.606 -1.437 1.00 41.02 O ATOM 2490 CB VAL B 41 8.072 2.470 -1.645 1.00 24.33 C ATOM 2491 CG1 VAL B 41 8.427 2.792 -3.091 1.00 40.44 C ATOM 2492 CG2 VAL B 41 8.897 1.303 -1.136 1.00 72.52 C ATOM 0 H VAL B 41 6.929 2.936 0.642 1.00 64.25 H new ATOM 0 HA VAL B 41 9.295 3.991 -0.747 1.00 4.22 H new ATOM 0 HB VAL B 41 7.018 2.192 -1.627 1.00 24.33 H new ATOM 0 HG11 VAL B 41 8.288 1.903 -3.706 1.00 40.44 H new ATOM 0 HG12 VAL B 41 7.780 3.590 -3.455 1.00 40.44 H new ATOM 0 HG13 VAL B 41 9.467 3.114 -3.147 1.00 40.44 H new ATOM 0 HG21 VAL B 41 8.763 0.447 -1.797 1.00 72.52 H new ATOM 0 HG22 VAL B 41 9.950 1.584 -1.115 1.00 72.52 H new ATOM 0 HG23 VAL B 41 8.571 1.039 -0.130 1.00 72.52 H new ATOM 2502 N GLY B 42 7.881 5.985 -1.294 1.00 2.11 N ATOM 2503 CA GLY B 42 7.068 7.098 -1.673 1.00 75.54 C ATOM 2504 C GLY B 42 7.200 7.425 -3.124 1.00 74.24 C ATOM 2505 O GLY B 42 8.130 6.965 -3.776 1.00 51.33 O ATOM 0 H GLY B 42 8.863 6.200 -1.121 1.00 2.11 H new ATOM 0 HA2 GLY B 42 6.025 6.878 -1.445 1.00 75.54 H new ATOM 0 HA3 GLY B 42 7.347 7.968 -1.079 1.00 75.54 H new ATOM 2509 N ASN B 43 6.265 8.225 -3.615 1.00 11.05 N ATOM 2510 CA ASN B 43 6.213 8.696 -5.014 1.00 51.10 C ATOM 2511 C ASN B 43 6.097 7.530 -6.042 1.00 21.31 C ATOM 2512 O ASN B 43 6.345 7.712 -7.214 1.00 2.00 O ATOM 2513 CB ASN B 43 7.437 9.615 -5.310 1.00 1.14 C ATOM 2514 CG ASN B 43 7.368 10.341 -6.657 1.00 75.40 C ATOM 2515 OD1 ASN B 43 6.289 10.642 -7.168 1.00 14.33 O ATOM 2516 ND2 ASN B 43 8.513 10.636 -7.227 1.00 34.41 N ATOM 0 H ASN B 43 5.496 8.580 -3.046 1.00 11.05 H new ATOM 0 HA ASN B 43 5.300 9.280 -5.134 1.00 51.10 H new ATOM 0 HB2 ASN B 43 7.521 10.356 -4.515 1.00 1.14 H new ATOM 0 HB3 ASN B 43 8.345 9.012 -5.281 1.00 1.14 H new ATOM 0 HD21 ASN B 43 8.526 11.129 -8.120 1.00 34.41 H new ATOM 0 HD22 ASN B 43 9.390 10.372 -6.777 1.00 34.41 H new ATOM 2523 N VAL B 44 5.686 6.347 -5.588 1.00 65.24 N ATOM 2524 CA VAL B 44 5.484 5.213 -6.507 1.00 44.34 C ATOM 2525 C VAL B 44 4.407 5.574 -7.515 1.00 5.53 C ATOM 2526 O VAL B 44 3.359 6.122 -7.162 1.00 64.01 O ATOM 2527 CB VAL B 44 5.164 3.869 -5.756 1.00 50.32 C ATOM 2528 CG1 VAL B 44 3.799 3.854 -5.114 1.00 23.54 C ATOM 2529 CG2 VAL B 44 5.361 2.677 -6.654 1.00 25.21 C ATOM 0 H VAL B 44 5.488 6.144 -4.608 1.00 65.24 H new ATOM 0 HA VAL B 44 6.420 5.029 -7.035 1.00 44.34 H new ATOM 0 HB VAL B 44 5.883 3.802 -4.939 1.00 50.32 H new ATOM 0 HG11 VAL B 44 3.643 2.898 -4.613 1.00 23.54 H new ATOM 0 HG12 VAL B 44 3.731 4.661 -4.385 1.00 23.54 H new ATOM 0 HG13 VAL B 44 3.035 3.991 -5.880 1.00 23.54 H new ATOM 0 HG21 VAL B 44 5.131 1.765 -6.103 1.00 25.21 H new ATOM 0 HG22 VAL B 44 4.698 2.757 -7.516 1.00 25.21 H new ATOM 0 HG23 VAL B 44 6.396 2.645 -6.994 1.00 25.21 H new ATOM 2539 N ASP B 45 4.698 5.321 -8.774 1.00 3.34 N ATOM 2540 CA ASP B 45 3.797 5.691 -9.838 1.00 22.20 C ATOM 2541 C ASP B 45 2.531 4.886 -9.739 1.00 15.42 C ATOM 2542 O ASP B 45 2.575 3.705 -9.376 1.00 10.53 O ATOM 2543 CB ASP B 45 4.459 5.501 -11.208 1.00 33.55 C ATOM 2544 CG ASP B 45 3.525 5.802 -12.369 1.00 32.41 C ATOM 2545 OD1 ASP B 45 3.408 6.954 -12.766 1.00 41.13 O ATOM 2546 OD2 ASP B 45 2.905 4.857 -12.906 1.00 24.33 O ATOM 0 H ASP B 45 5.554 4.860 -9.083 1.00 3.34 H new ATOM 0 HA ASP B 45 3.550 6.748 -9.734 1.00 22.20 H new ATOM 0 HB2 ASP B 45 5.333 6.149 -11.275 1.00 33.55 H new ATOM 0 HB3 ASP B 45 4.816 4.475 -11.293 1.00 33.55 H new ATOM 2551 N TYR B 46 1.431 5.522 -10.068 1.00 21.13 N ATOM 2552 CA TYR B 46 0.082 4.957 -9.991 1.00 24.32 C ATOM 2553 C TYR B 46 -0.038 3.633 -10.783 1.00 40.21 C ATOM 2554 O TYR B 46 -0.921 2.807 -10.524 1.00 21.02 O ATOM 2555 CB TYR B 46 -0.896 6.010 -10.531 1.00 74.43 C ATOM 2556 CG TYR B 46 -2.357 5.678 -10.398 1.00 20.15 C ATOM 2557 CD1 TYR B 46 -2.999 5.832 -9.188 1.00 35.04 C ATOM 2558 CD2 TYR B 46 -3.101 5.235 -11.481 1.00 33.34 C ATOM 2559 CE1 TYR B 46 -4.339 5.551 -9.047 1.00 31.21 C ATOM 2560 CE2 TYR B 46 -4.439 4.960 -11.350 1.00 42.14 C ATOM 2561 CZ TYR B 46 -5.054 5.118 -10.132 1.00 53.12 C ATOM 2562 OH TYR B 46 -6.395 4.853 -10.004 1.00 73.50 O ATOM 0 H TYR B 46 1.439 6.483 -10.410 1.00 21.13 H new ATOM 0 HA TYR B 46 -0.152 4.713 -8.955 1.00 24.32 H new ATOM 0 HB2 TYR B 46 -0.708 6.951 -10.014 1.00 74.43 H new ATOM 0 HB3 TYR B 46 -0.675 6.176 -11.585 1.00 74.43 H new ATOM 0 HD1 TYR B 46 -2.439 6.180 -8.333 1.00 35.04 H new ATOM 0 HD2 TYR B 46 -2.621 5.105 -12.440 1.00 33.34 H new ATOM 0 HE1 TYR B 46 -4.823 5.671 -8.089 1.00 31.21 H new ATOM 0 HE2 TYR B 46 -5.007 4.620 -12.203 1.00 42.14 H new ATOM 0 HH TYR B 46 -6.750 4.541 -10.862 1.00 73.50 H new ATOM 2572 N GLY B 47 0.856 3.437 -11.733 1.00 54.13 N ATOM 2573 CA GLY B 47 0.827 2.253 -12.520 1.00 11.11 C ATOM 2574 C GLY B 47 1.879 1.236 -12.131 1.00 12.44 C ATOM 2575 O GLY B 47 2.101 0.282 -12.877 1.00 41.23 O ATOM 0 H GLY B 47 1.604 4.090 -11.966 1.00 54.13 H new ATOM 0 HA2 GLY B 47 -0.158 1.794 -12.434 1.00 11.11 H new ATOM 0 HA3 GLY B 47 0.963 2.521 -13.568 1.00 11.11 H new ATOM 2579 N SER B 48 2.557 1.424 -11.000 1.00 54.11 N ATOM 2580 CA SER B 48 3.515 0.436 -10.577 1.00 2.53 C ATOM 2581 C SER B 48 2.754 -0.783 -10.020 1.00 70.00 C ATOM 2582 O SER B 48 1.958 -0.653 -9.093 1.00 61.11 O ATOM 2583 CB SER B 48 4.412 1.042 -9.527 1.00 43.25 C ATOM 2584 OG SER B 48 4.914 2.310 -9.980 1.00 31.10 O ATOM 0 H SER B 48 2.458 2.231 -10.384 1.00 54.11 H new ATOM 0 HA SER B 48 4.133 0.111 -11.414 1.00 2.53 H new ATOM 0 HB2 SER B 48 3.860 1.172 -8.596 1.00 43.25 H new ATOM 0 HB3 SER B 48 5.242 0.368 -9.314 1.00 43.25 H new ATOM 0 HG SER B 48 4.256 3.010 -9.787 1.00 31.10 H new ATOM 2590 N THR B 49 2.990 -1.946 -10.594 1.00 13.40 N ATOM 2591 CA THR B 49 2.249 -3.135 -10.215 1.00 72.30 C ATOM 2592 C THR B 49 3.010 -3.970 -9.196 1.00 22.13 C ATOM 2593 O THR B 49 4.211 -3.748 -8.983 1.00 41.02 O ATOM 2594 CB THR B 49 1.899 -3.975 -11.443 1.00 0.23 C ATOM 2595 OG1 THR B 49 3.098 -4.321 -12.164 1.00 20.00 O ATOM 2596 CG2 THR B 49 0.959 -3.210 -12.360 1.00 72.12 C ATOM 0 H THR B 49 3.687 -2.094 -11.323 1.00 13.40 H new ATOM 0 HA THR B 49 1.322 -2.804 -9.747 1.00 72.30 H new ATOM 0 HB THR B 49 1.403 -4.886 -11.107 1.00 0.23 H new ATOM 0 HG1 THR B 49 2.864 -4.860 -12.948 1.00 20.00 H new ATOM 0 HG21 THR B 49 0.720 -3.823 -13.229 1.00 72.12 H new ATOM 0 HG22 THR B 49 0.042 -2.970 -11.822 1.00 72.12 H new ATOM 0 HG23 THR B 49 1.440 -2.288 -12.687 1.00 72.12 H new ATOM 2604 N ALA B 50 2.327 -4.949 -8.581 1.00 4.42 N ATOM 2605 CA ALA B 50 2.908 -5.757 -7.520 1.00 10.42 C ATOM 2606 C ALA B 50 4.150 -6.527 -7.972 1.00 44.35 C ATOM 2607 O ALA B 50 5.181 -6.438 -7.328 1.00 14.20 O ATOM 2608 CB ALA B 50 1.854 -6.706 -6.975 1.00 71.01 C ATOM 0 H ALA B 50 1.364 -5.194 -8.810 1.00 4.42 H new ATOM 0 HA ALA B 50 3.240 -5.080 -6.733 1.00 10.42 H new ATOM 0 HB1 ALA B 50 2.287 -7.313 -6.180 1.00 71.01 H new ATOM 0 HB2 ALA B 50 1.017 -6.131 -6.578 1.00 71.01 H new ATOM 0 HB3 ALA B 50 1.501 -7.356 -7.776 1.00 71.01 H new ATOM 2614 N GLN B 51 4.051 -7.258 -9.085 1.00 71.42 N ATOM 2615 CA GLN B 51 5.207 -8.019 -9.628 1.00 63.14 C ATOM 2616 C GLN B 51 6.405 -7.128 -9.918 1.00 45.13 C ATOM 2617 O GLN B 51 7.547 -7.516 -9.662 1.00 20.33 O ATOM 2618 CB GLN B 51 4.817 -8.769 -10.909 1.00 11.53 C ATOM 2619 CG GLN B 51 3.931 -9.985 -10.703 1.00 31.42 C ATOM 2620 CD GLN B 51 4.663 -11.129 -10.021 1.00 75.40 C ATOM 2621 OE1 GLN B 51 4.690 -11.245 -8.809 1.00 13.04 O ATOM 2622 NE2 GLN B 51 5.246 -11.988 -10.796 1.00 23.11 N ATOM 0 H GLN B 51 3.195 -7.347 -9.633 1.00 71.42 H new ATOM 0 HA GLN B 51 5.493 -8.732 -8.855 1.00 63.14 H new ATOM 0 HB2 GLN B 51 4.305 -8.075 -11.575 1.00 11.53 H new ATOM 0 HB3 GLN B 51 5.728 -9.085 -11.417 1.00 11.53 H new ATOM 0 HG2 GLN B 51 3.066 -9.703 -10.103 1.00 31.42 H new ATOM 0 HG3 GLN B 51 3.553 -10.323 -11.668 1.00 31.42 H new ATOM 0 HE21 GLN B 51 5.209 -11.869 -11.808 1.00 23.11 H new ATOM 0 HE22 GLN B 51 5.742 -12.783 -10.394 1.00 23.11 H new ATOM 2631 N ASP B 52 6.146 -5.938 -10.418 1.00 24.54 N ATOM 2632 CA ASP B 52 7.221 -5.019 -10.775 1.00 32.25 C ATOM 2633 C ASP B 52 7.915 -4.516 -9.516 1.00 32.44 C ATOM 2634 O ASP B 52 9.154 -4.469 -9.442 1.00 22.00 O ATOM 2635 CB ASP B 52 6.681 -3.855 -11.611 1.00 41.43 C ATOM 2636 CG ASP B 52 7.773 -2.965 -12.185 1.00 52.22 C ATOM 2637 OD1 ASP B 52 8.462 -3.400 -13.144 1.00 74.35 O ATOM 2638 OD2 ASP B 52 7.908 -1.807 -11.754 1.00 13.11 O ATOM 0 H ASP B 52 5.206 -5.580 -10.588 1.00 24.54 H new ATOM 0 HA ASP B 52 7.954 -5.551 -11.382 1.00 32.25 H new ATOM 0 HB2 ASP B 52 6.080 -4.253 -12.429 1.00 41.43 H new ATOM 0 HB3 ASP B 52 6.018 -3.250 -10.993 1.00 41.43 H new ATOM 2643 N LEU B 53 7.115 -4.198 -8.508 1.00 44.24 N ATOM 2644 CA LEU B 53 7.620 -3.713 -7.229 1.00 33.31 C ATOM 2645 C LEU B 53 8.324 -4.801 -6.447 1.00 64.02 C ATOM 2646 O LEU B 53 9.447 -4.597 -5.952 1.00 70.24 O ATOM 2647 CB LEU B 53 6.451 -3.174 -6.388 1.00 52.31 C ATOM 2648 CG LEU B 53 5.819 -1.889 -6.874 1.00 62.11 C ATOM 2649 CD1 LEU B 53 4.540 -1.621 -6.102 1.00 30.21 C ATOM 2650 CD2 LEU B 53 6.791 -0.765 -6.608 1.00 35.53 C ATOM 0 H LEU B 53 6.098 -4.268 -8.553 1.00 44.24 H new ATOM 0 HA LEU B 53 8.342 -2.924 -7.439 1.00 33.31 H new ATOM 0 HB2 LEU B 53 5.678 -3.941 -6.344 1.00 52.31 H new ATOM 0 HB3 LEU B 53 6.805 -3.018 -5.369 1.00 52.31 H new ATOM 0 HG LEU B 53 5.588 -1.964 -7.936 1.00 62.11 H new ATOM 0 HD11 LEU B 53 4.089 -0.694 -6.456 1.00 30.21 H new ATOM 0 HD12 LEU B 53 3.843 -2.445 -6.255 1.00 30.21 H new ATOM 0 HD13 LEU B 53 4.768 -1.531 -5.040 1.00 30.21 H new ATOM 0 HD21 LEU B 53 6.361 0.177 -6.949 1.00 35.53 H new ATOM 0 HD22 LEU B 53 6.994 -0.705 -5.539 1.00 35.53 H new ATOM 0 HD23 LEU B 53 7.721 -0.954 -7.144 1.00 35.53 H new ATOM 2662 N GLU B 54 7.683 -5.949 -6.336 1.00 12.54 N ATOM 2663 CA GLU B 54 8.190 -7.067 -5.577 1.00 72.41 C ATOM 2664 C GLU B 54 9.535 -7.534 -6.113 1.00 5.14 C ATOM 2665 O GLU B 54 10.480 -7.641 -5.356 1.00 31.31 O ATOM 2666 CB GLU B 54 7.100 -8.158 -5.636 1.00 2.22 C ATOM 2667 CG GLU B 54 7.209 -9.374 -4.709 1.00 72.41 C ATOM 2668 CD GLU B 54 8.244 -10.383 -5.104 1.00 62.21 C ATOM 2669 OE1 GLU B 54 8.386 -10.653 -6.322 1.00 72.54 O ATOM 2670 OE2 GLU B 54 8.844 -11.010 -4.210 1.00 54.14 O ATOM 0 H GLU B 54 6.782 -6.130 -6.779 1.00 12.54 H new ATOM 0 HA GLU B 54 8.386 -6.796 -4.540 1.00 72.41 H new ATOM 0 HB2 GLU B 54 6.143 -7.677 -5.435 1.00 2.22 H new ATOM 0 HB3 GLU B 54 7.062 -8.529 -6.660 1.00 2.22 H new ATOM 0 HG2 GLU B 54 7.431 -9.024 -3.701 1.00 72.41 H new ATOM 0 HG3 GLU B 54 6.239 -9.869 -4.668 1.00 72.41 H new ATOM 2677 N ALA B 55 9.636 -7.748 -7.412 1.00 32.53 N ATOM 2678 CA ALA B 55 10.915 -8.139 -8.027 1.00 63.01 C ATOM 2679 C ALA B 55 12.014 -7.104 -7.739 1.00 70.41 C ATOM 2680 O ALA B 55 13.177 -7.454 -7.368 1.00 4.13 O ATOM 2681 CB ALA B 55 10.747 -8.324 -9.527 1.00 3.44 C ATOM 0 H ALA B 55 8.860 -7.661 -8.068 1.00 32.53 H new ATOM 0 HA ALA B 55 11.221 -9.087 -7.585 1.00 63.01 H new ATOM 0 HB1 ALA B 55 11.701 -8.613 -9.967 1.00 3.44 H new ATOM 0 HB2 ALA B 55 10.009 -9.103 -9.717 1.00 3.44 H new ATOM 0 HB3 ALA B 55 10.410 -7.388 -9.973 1.00 3.44 H new ATOM 2687 N HIS B 56 11.630 -5.842 -7.839 1.00 51.12 N ATOM 2688 CA HIS B 56 12.557 -4.731 -7.695 1.00 11.41 C ATOM 2689 C HIS B 56 13.125 -4.683 -6.288 1.00 52.14 C ATOM 2690 O HIS B 56 14.309 -4.469 -6.100 1.00 12.41 O ATOM 2691 CB HIS B 56 11.869 -3.404 -8.049 1.00 53.42 C ATOM 2692 CG HIS B 56 12.793 -2.224 -8.117 1.00 0.41 C ATOM 2693 ND1 HIS B 56 13.344 -1.780 -9.288 1.00 41.11 N ATOM 2694 CD2 HIS B 56 13.247 -1.391 -7.157 1.00 43.53 C ATOM 2695 CE1 HIS B 56 14.096 -0.740 -9.056 1.00 11.32 C ATOM 2696 NE2 HIS B 56 14.057 -0.476 -7.771 1.00 0.54 N ATOM 0 H HIS B 56 10.667 -5.559 -8.022 1.00 51.12 H new ATOM 0 HA HIS B 56 13.383 -4.884 -8.389 1.00 11.41 H new ATOM 0 HB2 HIS B 56 11.369 -3.514 -9.011 1.00 53.42 H new ATOM 0 HB3 HIS B 56 11.095 -3.202 -7.309 1.00 53.42 H new ATOM 0 HD2 HIS B 56 13.015 -1.438 -6.103 1.00 43.53 H new ATOM 0 HE1 HIS B 56 14.656 -0.189 -9.797 1.00 11.32 H new ATOM 0 HE2 HIS B 56 14.550 0.287 -7.306 1.00 0.54 H new ATOM 2705 N PHE B 57 12.274 -4.886 -5.318 1.00 71.50 N ATOM 2706 CA PHE B 57 12.670 -4.892 -3.934 1.00 1.24 C ATOM 2707 C PHE B 57 13.271 -6.223 -3.475 1.00 14.15 C ATOM 2708 O PHE B 57 13.995 -6.276 -2.490 1.00 12.30 O ATOM 2709 CB PHE B 57 11.587 -4.353 -3.019 1.00 44.21 C ATOM 2710 CG PHE B 57 11.639 -2.845 -2.852 1.00 14.40 C ATOM 2711 CD1 PHE B 57 11.005 -1.959 -3.722 1.00 23.31 C ATOM 2712 CD2 PHE B 57 12.326 -2.325 -1.794 1.00 42.42 C ATOM 2713 CE1 PHE B 57 11.072 -0.600 -3.505 1.00 40.23 C ATOM 2714 CE2 PHE B 57 12.396 -0.968 -1.582 1.00 32.44 C ATOM 2715 CZ PHE B 57 11.768 -0.113 -2.438 1.00 54.53 C ATOM 0 H PHE B 57 11.279 -5.053 -5.467 1.00 71.50 H new ATOM 0 HA PHE B 57 13.496 -4.186 -3.853 1.00 1.24 H new ATOM 0 HB2 PHE B 57 10.612 -4.634 -3.416 1.00 44.21 H new ATOM 0 HB3 PHE B 57 11.680 -4.824 -2.040 1.00 44.21 H new ATOM 0 HD1 PHE B 57 10.458 -2.340 -4.571 1.00 23.31 H new ATOM 0 HD2 PHE B 57 12.826 -2.993 -1.108 1.00 42.42 H new ATOM 0 HE1 PHE B 57 10.573 0.080 -4.180 1.00 40.23 H new ATOM 0 HE2 PHE B 57 12.948 -0.580 -0.738 1.00 32.44 H new ATOM 0 HZ PHE B 57 11.822 0.953 -2.271 1.00 54.53 H new ATOM 2725 N SER B 58 12.965 -7.287 -4.200 1.00 31.23 N ATOM 2726 CA SER B 58 13.492 -8.627 -3.890 1.00 44.23 C ATOM 2727 C SER B 58 14.986 -8.669 -4.057 1.00 43.00 C ATOM 2728 O SER B 58 15.662 -9.489 -3.440 1.00 34.03 O ATOM 2729 CB SER B 58 12.862 -9.718 -4.743 1.00 21.15 C ATOM 2730 OG SER B 58 11.499 -9.858 -4.461 1.00 51.00 O ATOM 0 H SER B 58 12.351 -7.258 -5.014 1.00 31.23 H new ATOM 0 HA SER B 58 13.231 -8.821 -2.850 1.00 44.23 H new ATOM 0 HB2 SER B 58 12.995 -9.480 -5.798 1.00 21.15 H new ATOM 0 HB3 SER B 58 13.372 -10.664 -4.563 1.00 21.15 H new ATOM 0 HG SER B 58 11.014 -9.074 -4.792 1.00 51.00 H new ATOM 2736 N SER B 59 15.514 -7.800 -4.906 1.00 21.13 N ATOM 2737 CA SER B 59 16.956 -7.676 -5.042 1.00 11.54 C ATOM 2738 C SER B 59 17.604 -7.315 -3.674 1.00 61.54 C ATOM 2739 O SER B 59 18.754 -7.646 -3.413 1.00 41.14 O ATOM 2740 CB SER B 59 17.257 -6.584 -6.061 1.00 11.14 C ATOM 2741 OG SER B 59 16.568 -6.844 -7.278 1.00 2.44 O ATOM 0 H SER B 59 14.972 -7.177 -5.505 1.00 21.13 H new ATOM 0 HA SER B 59 17.372 -8.626 -5.376 1.00 11.54 H new ATOM 0 HB2 SER B 59 16.957 -5.614 -5.665 1.00 11.14 H new ATOM 0 HB3 SER B 59 18.330 -6.535 -6.246 1.00 11.14 H new ATOM 0 HG SER B 59 16.767 -6.135 -7.925 1.00 2.44 H new ATOM 2747 N CYS B 60 16.833 -6.661 -2.816 1.00 33.31 N ATOM 2748 CA CYS B 60 17.297 -6.251 -1.509 1.00 53.55 C ATOM 2749 C CYS B 60 17.000 -7.303 -0.405 1.00 41.31 C ATOM 2750 O CYS B 60 17.380 -7.111 0.754 1.00 21.43 O ATOM 2751 CB CYS B 60 16.651 -4.919 -1.155 1.00 55.33 C ATOM 2752 SG CYS B 60 16.956 -3.612 -2.373 1.00 54.51 S ATOM 0 H CYS B 60 15.866 -6.402 -3.013 1.00 33.31 H new ATOM 0 HA CYS B 60 18.382 -6.152 -1.555 1.00 53.55 H new ATOM 0 HB2 CYS B 60 15.575 -5.063 -1.052 1.00 55.33 H new ATOM 0 HB3 CYS B 60 17.023 -4.592 -0.184 1.00 55.33 H new ATOM 0 HG CYS B 60 15.919 -3.489 -3.147 1.00 54.51 H new ATOM 2758 N GLY B 61 16.367 -8.415 -0.759 1.00 0.41 N ATOM 2759 CA GLY B 61 16.062 -9.408 0.258 1.00 65.31 C ATOM 2760 C GLY B 61 14.765 -10.165 0.036 1.00 12.53 C ATOM 2761 O GLY B 61 14.289 -10.298 -1.092 1.00 24.12 O ATOM 0 H GLY B 61 16.065 -8.645 -1.706 1.00 0.41 H new ATOM 0 HA2 GLY B 61 16.882 -10.125 0.304 1.00 65.31 H new ATOM 0 HA3 GLY B 61 16.016 -8.913 1.228 1.00 65.31 H new ATOM 2765 N SER B 62 14.194 -10.666 1.114 1.00 43.14 N ATOM 2766 CA SER B 62 12.992 -11.473 1.044 1.00 3.14 C ATOM 2767 C SER B 62 11.770 -10.686 1.510 1.00 74.21 C ATOM 2768 O SER B 62 11.693 -10.252 2.669 1.00 13.15 O ATOM 2769 CB SER B 62 13.169 -12.732 1.888 1.00 0.42 C ATOM 2770 OG SER B 62 14.303 -13.478 1.455 1.00 12.42 O ATOM 0 H SER B 62 14.549 -10.526 2.060 1.00 43.14 H new ATOM 0 HA SER B 62 12.826 -11.757 0.005 1.00 3.14 H new ATOM 0 HB2 SER B 62 13.287 -12.458 2.936 1.00 0.42 H new ATOM 0 HB3 SER B 62 12.274 -13.350 1.819 1.00 0.42 H new ATOM 0 HG SER B 62 14.399 -14.280 2.011 1.00 12.42 H new ATOM 2776 N ILE B 63 10.833 -10.508 0.614 1.00 22.41 N ATOM 2777 CA ILE B 63 9.622 -9.774 0.886 1.00 55.00 C ATOM 2778 C ILE B 63 8.579 -10.612 1.660 1.00 22.04 C ATOM 2779 O ILE B 63 8.283 -11.756 1.307 1.00 72.12 O ATOM 2780 CB ILE B 63 9.030 -9.203 -0.432 1.00 64.31 C ATOM 2781 CG1 ILE B 63 9.973 -8.129 -0.995 1.00 74.23 C ATOM 2782 CG2 ILE B 63 7.638 -8.639 -0.224 1.00 12.23 C ATOM 2783 CD1 ILE B 63 9.520 -7.522 -2.296 1.00 74.43 C ATOM 0 H ILE B 63 10.890 -10.873 -0.337 1.00 22.41 H new ATOM 0 HA ILE B 63 9.885 -8.942 1.539 1.00 55.00 H new ATOM 0 HB ILE B 63 8.941 -10.019 -1.150 1.00 64.31 H new ATOM 0 HG12 ILE B 63 10.081 -7.335 -0.256 1.00 74.23 H new ATOM 0 HG13 ILE B 63 10.960 -8.569 -1.138 1.00 74.23 H new ATOM 0 HG21 ILE B 63 7.258 -8.249 -1.169 1.00 12.23 H new ATOM 0 HG22 ILE B 63 6.976 -9.427 0.136 1.00 12.23 H new ATOM 0 HG23 ILE B 63 7.677 -7.835 0.511 1.00 12.23 H new ATOM 0 HD11 ILE B 63 10.244 -6.775 -2.620 1.00 74.43 H new ATOM 0 HD12 ILE B 63 9.440 -8.302 -3.053 1.00 74.43 H new ATOM 0 HD13 ILE B 63 8.548 -7.049 -2.158 1.00 74.43 H new ATOM 2795 N ASN B 64 8.061 -10.018 2.724 1.00 75.24 N ATOM 2796 CA ASN B 64 7.024 -10.615 3.582 1.00 12.44 C ATOM 2797 C ASN B 64 5.660 -10.195 3.049 1.00 2.14 C ATOM 2798 O ASN B 64 4.738 -10.988 2.966 1.00 2.52 O ATOM 2799 CB ASN B 64 7.164 -10.064 5.020 1.00 1.24 C ATOM 2800 CG ASN B 64 6.180 -10.647 6.039 1.00 11.21 C ATOM 2801 OD1 ASN B 64 5.036 -10.256 6.104 1.00 55.45 O ATOM 2802 ND2 ASN B 64 6.650 -11.479 6.904 1.00 13.02 N ATOM 0 H ASN B 64 8.349 -9.088 3.030 1.00 75.24 H new ATOM 0 HA ASN B 64 7.129 -11.700 3.585 1.00 12.44 H new ATOM 0 HB2 ASN B 64 8.179 -10.255 5.368 1.00 1.24 H new ATOM 0 HB3 ASN B 64 7.035 -8.982 4.992 1.00 1.24 H new ATOM 0 HD21 ASN B 64 6.055 -11.819 7.660 1.00 13.02 H new ATOM 0 HD22 ASN B 64 7.617 -11.797 6.833 1.00 13.02 H new ATOM 2809 N ARG B 65 5.563 -8.929 2.669 1.00 55.12 N ATOM 2810 CA ARG B 65 4.328 -8.318 2.180 1.00 60.12 C ATOM 2811 C ARG B 65 4.672 -7.097 1.354 1.00 41.11 C ATOM 2812 O ARG B 65 5.770 -6.570 1.459 1.00 61.01 O ATOM 2813 CB ARG B 65 3.467 -7.781 3.330 1.00 63.15 C ATOM 2814 CG ARG B 65 2.981 -8.741 4.395 1.00 64.45 C ATOM 2815 CD ARG B 65 2.201 -7.934 5.396 1.00 31.12 C ATOM 2816 NE ARG B 65 1.608 -8.691 6.485 1.00 40.41 N ATOM 2817 CZ ARG B 65 0.998 -8.094 7.512 1.00 33.42 C ATOM 2818 NH1 ARG B 65 1.177 -6.776 7.711 1.00 2.25 N ATOM 2819 NH2 ARG B 65 0.284 -8.812 8.384 1.00 11.42 N ATOM 0 H ARG B 65 6.352 -8.283 2.691 1.00 55.12 H new ATOM 0 HA ARG B 65 3.797 -9.087 1.619 1.00 60.12 H new ATOM 0 HB2 ARG B 65 4.037 -6.997 3.829 1.00 63.15 H new ATOM 0 HB3 ARG B 65 2.590 -7.306 2.890 1.00 63.15 H new ATOM 0 HG2 ARG B 65 2.356 -9.519 3.956 1.00 64.45 H new ATOM 0 HG3 ARG B 65 3.822 -9.241 4.875 1.00 64.45 H new ATOM 0 HD2 ARG B 65 2.861 -7.178 5.820 1.00 31.12 H new ATOM 0 HD3 ARG B 65 1.406 -7.405 4.870 1.00 31.12 H new ATOM 0 HE ARG B 65 1.659 -9.710 6.465 1.00 40.41 H new ATOM 0 HH11 ARG B 65 1.774 -6.241 7.080 1.00 2.25 H new ATOM 0 HH12 ARG B 65 0.715 -6.311 8.493 1.00 2.25 H new ATOM 0 HH21 ARG B 65 0.203 -9.822 8.267 1.00 11.42 H new ATOM 0 HH22 ARG B 65 -0.180 -8.350 9.166 1.00 11.42 H new ATOM 2833 N ILE B 66 3.726 -6.631 0.576 1.00 12.04 N ATOM 2834 CA ILE B 66 3.853 -5.365 -0.119 1.00 4.33 C ATOM 2835 C ILE B 66 2.497 -4.713 -0.102 1.00 31.35 C ATOM 2836 O ILE B 66 1.496 -5.383 -0.258 1.00 42.04 O ATOM 2837 CB ILE B 66 4.396 -5.408 -1.601 1.00 31.12 C ATOM 2838 CG1 ILE B 66 3.436 -6.072 -2.562 1.00 74.21 C ATOM 2839 CG2 ILE B 66 5.743 -6.093 -1.677 1.00 33.14 C ATOM 2840 CD1 ILE B 66 3.887 -5.959 -4.007 1.00 41.10 C ATOM 0 H ILE B 66 2.845 -7.115 0.404 1.00 12.04 H new ATOM 0 HA ILE B 66 4.622 -4.808 0.415 1.00 4.33 H new ATOM 0 HB ILE B 66 4.503 -4.367 -1.905 1.00 31.12 H new ATOM 0 HG12 ILE B 66 3.333 -7.125 -2.298 1.00 74.21 H new ATOM 0 HG13 ILE B 66 2.450 -5.619 -2.456 1.00 74.21 H new ATOM 0 HG21 ILE B 66 6.087 -6.105 -2.711 1.00 33.14 H new ATOM 0 HG22 ILE B 66 6.462 -5.552 -1.062 1.00 33.14 H new ATOM 0 HG23 ILE B 66 5.652 -7.116 -1.313 1.00 33.14 H new ATOM 0 HD11 ILE B 66 3.162 -6.452 -4.654 1.00 41.10 H new ATOM 0 HD12 ILE B 66 3.963 -4.907 -4.283 1.00 41.10 H new ATOM 0 HD13 ILE B 66 4.860 -6.436 -4.123 1.00 41.10 H new ATOM 2852 N THR B 67 2.473 -3.455 0.143 1.00 73.21 N ATOM 2853 CA THR B 67 1.255 -2.686 0.223 1.00 20.41 C ATOM 2854 C THR B 67 1.406 -1.521 -0.716 1.00 30.43 C ATOM 2855 O THR B 67 2.414 -0.859 -0.692 1.00 54.12 O ATOM 2856 CB THR B 67 1.054 -2.191 1.673 1.00 54.20 C ATOM 2857 OG1 THR B 67 1.120 -3.314 2.575 1.00 70.42 O ATOM 2858 CG2 THR B 67 -0.275 -1.482 1.844 1.00 33.34 C ATOM 0 H THR B 67 3.316 -2.902 0.300 1.00 73.21 H new ATOM 0 HA THR B 67 0.387 -3.285 -0.052 1.00 20.41 H new ATOM 0 HB THR B 67 1.846 -1.477 1.899 1.00 54.20 H new ATOM 0 HG1 THR B 67 0.994 -3.002 3.496 1.00 70.42 H new ATOM 0 HG21 THR B 67 -0.379 -1.149 2.877 1.00 33.34 H new ATOM 0 HG22 THR B 67 -0.316 -0.620 1.179 1.00 33.34 H new ATOM 0 HG23 THR B 67 -1.087 -2.167 1.600 1.00 33.34 H new ATOM 2866 N ILE B 68 0.434 -1.292 -1.537 1.00 12.34 N ATOM 2867 CA ILE B 68 0.500 -0.239 -2.517 1.00 15.11 C ATOM 2868 C ILE B 68 -0.715 0.615 -2.329 1.00 63.42 C ATOM 2869 O ILE B 68 -1.821 0.116 -2.460 1.00 50.03 O ATOM 2870 CB ILE B 68 0.381 -0.816 -3.931 1.00 1.23 C ATOM 2871 CG1 ILE B 68 1.254 -2.045 -4.098 1.00 73.02 C ATOM 2872 CG2 ILE B 68 0.785 0.245 -4.960 1.00 21.54 C ATOM 2873 CD1 ILE B 68 0.966 -2.765 -5.372 1.00 4.23 C ATOM 0 H ILE B 68 -0.434 -1.827 -1.553 1.00 12.34 H new ATOM 0 HA ILE B 68 1.440 0.301 -2.400 1.00 15.11 H new ATOM 0 HB ILE B 68 -0.657 -1.109 -4.091 1.00 1.23 H new ATOM 0 HG12 ILE B 68 2.303 -1.750 -4.077 1.00 73.02 H new ATOM 0 HG13 ILE B 68 1.096 -2.719 -3.256 1.00 73.02 H new ATOM 0 HG21 ILE B 68 0.699 -0.170 -5.964 1.00 21.54 H new ATOM 0 HG22 ILE B 68 0.128 1.110 -4.868 1.00 21.54 H new ATOM 0 HG23 ILE B 68 1.816 0.551 -4.781 1.00 21.54 H new ATOM 0 HD11 ILE B 68 1.613 -3.638 -5.451 1.00 4.23 H new ATOM 0 HD12 ILE B 68 -0.076 -3.084 -5.382 1.00 4.23 H new ATOM 0 HD13 ILE B 68 1.150 -2.100 -6.216 1.00 4.23 H new ATOM 2885 N LEU B 69 -0.541 1.841 -1.994 1.00 51.32 N ATOM 2886 CA LEU B 69 -1.669 2.720 -1.857 1.00 70.21 C ATOM 2887 C LEU B 69 -1.575 3.914 -2.769 1.00 62.23 C ATOM 2888 O LEU B 69 -0.574 4.631 -2.784 1.00 35.34 O ATOM 2889 CB LEU B 69 -2.088 3.066 -0.398 1.00 45.34 C ATOM 2890 CG LEU B 69 -1.055 3.647 0.577 1.00 62.40 C ATOM 2891 CD1 LEU B 69 -1.768 4.070 1.847 1.00 1.12 C ATOM 2892 CD2 LEU B 69 -0.001 2.611 0.936 1.00 21.15 C ATOM 0 H LEU B 69 0.366 2.269 -1.807 1.00 51.32 H new ATOM 0 HA LEU B 69 -2.517 2.129 -2.203 1.00 70.21 H new ATOM 0 HB2 LEU B 69 -2.914 3.775 -0.457 1.00 45.34 H new ATOM 0 HB3 LEU B 69 -2.482 2.155 0.052 1.00 45.34 H new ATOM 0 HG LEU B 69 -0.565 4.496 0.100 1.00 62.40 H new ATOM 0 HD11 LEU B 69 -1.045 4.485 2.549 1.00 1.12 H new ATOM 0 HD12 LEU B 69 -2.517 4.825 1.609 1.00 1.12 H new ATOM 0 HD13 LEU B 69 -2.255 3.204 2.297 1.00 1.12 H new ATOM 0 HD21 LEU B 69 0.719 3.049 1.628 1.00 21.15 H new ATOM 0 HD22 LEU B 69 -0.480 1.752 1.406 1.00 21.15 H new ATOM 0 HD23 LEU B 69 0.515 2.289 0.032 1.00 21.15 H new ATOM 2904 N CYS B 70 -2.590 4.107 -3.540 1.00 30.03 N ATOM 2905 CA CYS B 70 -2.647 5.188 -4.478 1.00 23.23 C ATOM 2906 C CYS B 70 -3.778 6.102 -4.079 1.00 42.10 C ATOM 2907 O CYS B 70 -4.903 5.626 -3.841 1.00 21.21 O ATOM 2908 CB CYS B 70 -2.887 4.624 -5.867 1.00 1.44 C ATOM 2909 SG CYS B 70 -1.616 3.461 -6.417 1.00 44.32 S ATOM 0 H CYS B 70 -3.419 3.512 -3.540 1.00 30.03 H new ATOM 0 HA CYS B 70 -1.712 5.748 -4.483 1.00 23.23 H new ATOM 0 HB2 CYS B 70 -3.855 4.123 -5.882 1.00 1.44 H new ATOM 0 HB3 CYS B 70 -2.943 5.448 -6.578 1.00 1.44 H new ATOM 0 HG CYS B 70 -1.907 3.032 -7.609 1.00 44.32 H new ATOM 2915 N ASP B 71 -3.516 7.391 -3.973 1.00 25.45 N ATOM 2916 CA ASP B 71 -4.558 8.296 -3.539 1.00 32.41 C ATOM 2917 C ASP B 71 -4.997 9.187 -4.660 1.00 15.42 C ATOM 2918 O ASP B 71 -4.188 9.827 -5.298 1.00 42.52 O ATOM 2919 CB ASP B 71 -4.141 9.134 -2.314 1.00 12.13 C ATOM 2920 CG ASP B 71 -3.063 10.169 -2.591 1.00 2.11 C ATOM 2921 OD1 ASP B 71 -1.878 9.838 -2.555 1.00 60.11 O ATOM 2922 OD2 ASP B 71 -3.401 11.350 -2.829 1.00 13.21 O ATOM 0 H ASP B 71 -2.615 7.825 -4.176 1.00 25.45 H new ATOM 0 HA ASP B 71 -5.401 7.676 -3.232 1.00 32.41 H new ATOM 0 HB2 ASP B 71 -5.022 9.642 -1.922 1.00 12.13 H new ATOM 0 HB3 ASP B 71 -3.787 8.461 -1.533 1.00 12.13 H new ATOM 2927 N LYS B 72 -6.277 9.209 -4.910 1.00 23.05 N ATOM 2928 CA LYS B 72 -6.845 10.051 -5.946 1.00 73.31 C ATOM 2929 C LYS B 72 -7.711 11.103 -5.245 1.00 21.03 C ATOM 2930 O LYS B 72 -8.535 11.799 -5.848 1.00 12.20 O ATOM 2931 CB LYS B 72 -7.660 9.167 -6.903 1.00 13.11 C ATOM 2932 CG LYS B 72 -8.097 9.843 -8.197 1.00 42.11 C ATOM 2933 CD LYS B 72 -8.871 8.884 -9.110 1.00 74.01 C ATOM 2934 CE LYS B 72 -8.008 7.692 -9.520 1.00 43.03 C ATOM 2935 NZ LYS B 72 -8.691 6.791 -10.469 1.00 34.10 N ATOM 0 H LYS B 72 -6.962 8.647 -4.406 1.00 23.05 H new ATOM 0 HA LYS B 72 -6.084 10.558 -6.539 1.00 73.31 H new ATOM 0 HB2 LYS B 72 -7.067 8.288 -7.154 1.00 13.11 H new ATOM 0 HB3 LYS B 72 -8.548 8.814 -6.379 1.00 13.11 H new ATOM 0 HG2 LYS B 72 -8.722 10.705 -7.963 1.00 42.11 H new ATOM 0 HG3 LYS B 72 -7.220 10.218 -8.725 1.00 42.11 H new ATOM 0 HD2 LYS B 72 -9.764 8.529 -8.595 1.00 74.01 H new ATOM 0 HD3 LYS B 72 -9.206 9.417 -10.000 1.00 74.01 H new ATOM 0 HE2 LYS B 72 -7.085 8.056 -9.972 1.00 43.03 H new ATOM 0 HE3 LYS B 72 -7.727 7.129 -8.630 1.00 43.03 H new ATOM 0 HZ1 LYS B 72 -8.073 5.983 -10.686 1.00 34.10 H new ATOM 0 HZ2 LYS B 72 -9.576 6.446 -10.045 1.00 34.10 H new ATOM 0 HZ3 LYS B 72 -8.906 7.308 -11.345 1.00 34.10 H new ATOM 2949 N PHE B 73 -7.467 11.180 -3.947 1.00 42.45 N ATOM 2950 CA PHE B 73 -8.091 12.076 -2.976 1.00 20.13 C ATOM 2951 C PHE B 73 -8.194 13.521 -3.503 1.00 61.32 C ATOM 2952 O PHE B 73 -9.231 14.167 -3.380 1.00 63.14 O ATOM 2953 CB PHE B 73 -7.206 12.035 -1.704 1.00 24.22 C ATOM 2954 CG PHE B 73 -7.773 12.684 -0.467 1.00 61.54 C ATOM 2955 CD1 PHE B 73 -7.713 14.057 -0.282 1.00 12.32 C ATOM 2956 CD2 PHE B 73 -8.350 11.903 0.525 1.00 42.53 C ATOM 2957 CE1 PHE B 73 -8.217 14.639 0.864 1.00 32.40 C ATOM 2958 CE2 PHE B 73 -8.859 12.481 1.675 1.00 3.35 C ATOM 2959 CZ PHE B 73 -8.794 13.851 1.843 1.00 33.01 C ATOM 0 H PHE B 73 -6.775 10.573 -3.507 1.00 42.45 H new ATOM 0 HA PHE B 73 -9.111 11.750 -2.772 1.00 20.13 H new ATOM 0 HB2 PHE B 73 -6.989 10.992 -1.473 1.00 24.22 H new ATOM 0 HB3 PHE B 73 -6.255 12.514 -1.935 1.00 24.22 H new ATOM 0 HD1 PHE B 73 -7.266 14.679 -1.044 1.00 12.32 H new ATOM 0 HD2 PHE B 73 -8.402 10.832 0.398 1.00 42.53 H new ATOM 0 HE1 PHE B 73 -8.161 15.709 0.996 1.00 32.40 H new ATOM 0 HE2 PHE B 73 -9.306 11.863 2.439 1.00 3.35 H new ATOM 0 HZ PHE B 73 -9.193 14.306 2.738 1.00 33.01 H new ATOM 2969 N SER B 74 -7.140 13.991 -4.097 1.00 62.21 N ATOM 2970 CA SER B 74 -7.060 15.353 -4.564 1.00 71.43 C ATOM 2971 C SER B 74 -7.304 15.446 -6.080 1.00 70.32 C ATOM 2972 O SER B 74 -6.952 16.442 -6.712 1.00 52.31 O ATOM 2973 CB SER B 74 -5.673 15.895 -4.224 1.00 23.34 C ATOM 2974 OG SER B 74 -5.411 15.758 -2.832 1.00 3.13 O ATOM 0 H SER B 74 -6.300 13.440 -4.276 1.00 62.21 H new ATOM 0 HA SER B 74 -7.834 15.943 -4.074 1.00 71.43 H new ATOM 0 HB2 SER B 74 -4.916 15.359 -4.797 1.00 23.34 H new ATOM 0 HB3 SER B 74 -5.606 16.944 -4.511 1.00 23.34 H new ATOM 0 HG SER B 74 -4.518 16.108 -2.631 1.00 3.13 H new ATOM 2980 N GLY B 75 -7.908 14.432 -6.666 1.00 41.33 N ATOM 2981 CA GLY B 75 -8.155 14.460 -8.092 1.00 33.14 C ATOM 2982 C GLY B 75 -7.040 13.794 -8.856 1.00 75.34 C ATOM 2983 O GLY B 75 -7.274 12.892 -9.655 1.00 33.14 O ATOM 0 H GLY B 75 -8.232 13.592 -6.186 1.00 41.33 H new ATOM 0 HA2 GLY B 75 -9.098 13.958 -8.309 1.00 33.14 H new ATOM 0 HA3 GLY B 75 -8.260 15.493 -8.424 1.00 33.14 H new ATOM 2987 N HIS B 76 -5.825 14.229 -8.603 1.00 52.42 N ATOM 2988 CA HIS B 76 -4.667 13.629 -9.240 1.00 33.32 C ATOM 2989 C HIS B 76 -4.140 12.527 -8.375 1.00 14.23 C ATOM 2990 O HIS B 76 -3.752 12.757 -7.235 1.00 22.53 O ATOM 2991 CB HIS B 76 -3.559 14.626 -9.561 1.00 32.45 C ATOM 2992 CG HIS B 76 -3.910 15.622 -10.617 1.00 34.55 C ATOM 2993 ND1 HIS B 76 -3.505 15.498 -11.922 1.00 35.44 N ATOM 2994 CD2 HIS B 76 -4.611 16.772 -10.557 1.00 3.35 C ATOM 2995 CE1 HIS B 76 -3.933 16.522 -12.613 1.00 44.35 C ATOM 2996 NE2 HIS B 76 -4.609 17.316 -11.811 1.00 43.34 N ATOM 0 H HIS B 76 -5.611 14.994 -7.963 1.00 52.42 H new ATOM 0 HA HIS B 76 -5.001 13.235 -10.200 1.00 33.32 H new ATOM 0 HB2 HIS B 76 -3.293 15.161 -8.649 1.00 32.45 H new ATOM 0 HB3 HIS B 76 -2.673 14.076 -9.878 1.00 32.45 H new ATOM 0 HD2 HIS B 76 -5.086 17.187 -9.680 1.00 3.35 H new ATOM 0 HE1 HIS B 76 -3.760 16.688 -13.666 1.00 44.35 H new ATOM 0 HE2 HIS B 76 -5.057 18.192 -12.080 1.00 43.34 H new ATOM 3005 N PRO B 77 -4.114 11.325 -8.895 1.00 64.13 N ATOM 3006 CA PRO B 77 -3.746 10.158 -8.132 1.00 1.45 C ATOM 3007 C PRO B 77 -2.231 10.011 -7.921 1.00 45.01 C ATOM 3008 O PRO B 77 -1.444 9.983 -8.883 1.00 63.35 O ATOM 3009 CB PRO B 77 -4.335 9.030 -8.965 1.00 3.30 C ATOM 3010 CG PRO B 77 -4.215 9.511 -10.368 1.00 2.22 C ATOM 3011 CD PRO B 77 -4.421 10.992 -10.305 1.00 30.45 C ATOM 0 HA PRO B 77 -4.120 10.189 -7.109 1.00 1.45 H new ATOM 0 HB2 PRO B 77 -3.790 8.098 -8.816 1.00 3.30 H new ATOM 0 HB3 PRO B 77 -5.374 8.838 -8.697 1.00 3.30 H new ATOM 0 HG2 PRO B 77 -3.237 9.269 -10.783 1.00 2.22 H new ATOM 0 HG3 PRO B 77 -4.959 9.039 -11.009 1.00 2.22 H new ATOM 0 HD2 PRO B 77 -3.761 11.519 -10.994 1.00 30.45 H new ATOM 0 HD3 PRO B 77 -5.442 11.267 -10.569 1.00 30.45 H new ATOM 3019 N LYS B 78 -1.826 9.980 -6.662 1.00 24.44 N ATOM 3020 CA LYS B 78 -0.440 9.785 -6.299 1.00 11.02 C ATOM 3021 C LYS B 78 -0.249 8.341 -5.908 1.00 43.22 C ATOM 3022 O LYS B 78 -1.144 7.517 -6.107 1.00 42.24 O ATOM 3023 CB LYS B 78 -0.052 10.644 -5.094 1.00 33.54 C ATOM 3024 CG LYS B 78 -0.445 12.097 -5.182 1.00 55.10 C ATOM 3025 CD LYS B 78 0.382 12.962 -4.221 1.00 13.51 C ATOM 3026 CE LYS B 78 0.391 12.446 -2.771 1.00 21.44 C ATOM 3027 NZ LYS B 78 -0.943 12.406 -2.145 1.00 41.20 N ATOM 0 H LYS B 78 -2.453 10.090 -5.865 1.00 24.44 H new ATOM 0 HA LYS B 78 0.179 10.065 -7.151 1.00 11.02 H new ATOM 0 HB2 LYS B 78 -0.508 10.215 -4.202 1.00 33.54 H new ATOM 0 HB3 LYS B 78 1.028 10.585 -4.960 1.00 33.54 H new ATOM 0 HG2 LYS B 78 -0.306 12.451 -6.203 1.00 55.10 H new ATOM 0 HG3 LYS B 78 -1.504 12.203 -4.949 1.00 55.10 H new ATOM 0 HD2 LYS B 78 1.408 13.013 -4.585 1.00 13.51 H new ATOM 0 HD3 LYS B 78 -0.011 13.979 -4.232 1.00 13.51 H new ATOM 0 HE2 LYS B 78 0.820 11.444 -2.755 1.00 21.44 H new ATOM 0 HE3 LYS B 78 1.044 13.082 -2.173 1.00 21.44 H new ATOM 0 HZ1 LYS B 78 -0.981 13.092 -1.365 1.00 41.20 H new ATOM 0 HZ2 LYS B 78 -1.666 12.646 -2.853 1.00 41.20 H new ATOM 0 HZ3 LYS B 78 -1.124 11.451 -1.775 1.00 41.20 H new ATOM 3041 N GLY B 79 0.877 8.050 -5.306 1.00 62.42 N ATOM 3042 CA GLY B 79 1.154 6.724 -4.922 1.00 31.23 C ATOM 3043 C GLY B 79 2.256 6.634 -3.912 1.00 73.13 C ATOM 3044 O GLY B 79 3.239 7.386 -3.970 1.00 22.34 O ATOM 0 H GLY B 79 1.606 8.727 -5.079 1.00 62.42 H new ATOM 0 HA2 GLY B 79 0.251 6.273 -4.510 1.00 31.23 H new ATOM 0 HA3 GLY B 79 1.426 6.144 -5.804 1.00 31.23 H new ATOM 3048 N TYR B 80 2.074 5.749 -2.979 1.00 61.41 N ATOM 3049 CA TYR B 80 3.073 5.389 -2.019 1.00 23.34 C ATOM 3050 C TYR B 80 2.833 3.963 -1.590 1.00 44.23 C ATOM 3051 O TYR B 80 1.702 3.515 -1.514 1.00 31.14 O ATOM 3052 CB TYR B 80 3.208 6.396 -0.841 1.00 75.54 C ATOM 3053 CG TYR B 80 1.964 6.682 -0.019 1.00 61.44 C ATOM 3054 CD1 TYR B 80 0.944 7.479 -0.525 1.00 44.34 C ATOM 3055 CD2 TYR B 80 1.838 6.194 1.278 1.00 1.11 C ATOM 3056 CE1 TYR B 80 -0.167 7.782 0.230 1.00 63.12 C ATOM 3057 CE2 TYR B 80 0.724 6.485 2.048 1.00 52.10 C ATOM 3058 CZ TYR B 80 -0.279 7.284 1.515 1.00 5.55 C ATOM 3059 OH TYR B 80 -1.392 7.599 2.274 1.00 2.14 O ATOM 0 H TYR B 80 1.197 5.241 -2.861 1.00 61.41 H new ATOM 0 HA TYR B 80 4.054 5.448 -2.491 1.00 23.34 H new ATOM 0 HB2 TYR B 80 3.979 6.024 -0.166 1.00 75.54 H new ATOM 0 HB3 TYR B 80 3.569 7.342 -1.246 1.00 75.54 H new ATOM 0 HD1 TYR B 80 1.024 7.868 -1.529 1.00 44.34 H new ATOM 0 HD2 TYR B 80 2.623 5.578 1.692 1.00 1.11 H new ATOM 0 HE1 TYR B 80 -0.948 8.406 -0.180 1.00 63.12 H new ATOM 0 HE2 TYR B 80 0.636 6.095 3.051 1.00 52.10 H new ATOM 0 HH TYR B 80 -1.321 7.171 3.153 1.00 2.14 H new ATOM 3069 N ALA B 81 3.873 3.247 -1.367 1.00 74.04 N ATOM 3070 CA ALA B 81 3.779 1.844 -1.087 1.00 43.41 C ATOM 3071 C ALA B 81 4.594 1.507 0.123 1.00 75.34 C ATOM 3072 O ALA B 81 5.533 2.186 0.447 1.00 3.22 O ATOM 3073 CB ALA B 81 4.288 1.062 -2.294 1.00 70.23 C ATOM 0 H ALA B 81 4.826 3.612 -1.371 1.00 74.04 H new ATOM 0 HA ALA B 81 2.740 1.579 -0.891 1.00 43.41 H new ATOM 0 HB1 ALA B 81 4.220 -0.007 -2.090 1.00 70.23 H new ATOM 0 HB2 ALA B 81 3.681 1.304 -3.167 1.00 70.23 H new ATOM 0 HB3 ALA B 81 5.327 1.329 -2.489 1.00 70.23 H new ATOM 3079 N TYR B 82 4.201 0.488 0.810 1.00 23.11 N ATOM 3080 CA TYR B 82 4.934 -0.005 1.928 1.00 32.51 C ATOM 3081 C TYR B 82 5.309 -1.437 1.686 1.00 70.21 C ATOM 3082 O TYR B 82 4.448 -2.297 1.574 1.00 61.31 O ATOM 3083 CB TYR B 82 4.116 0.122 3.209 1.00 72.55 C ATOM 3084 CG TYR B 82 3.805 1.541 3.573 1.00 71.14 C ATOM 3085 CD1 TYR B 82 4.751 2.311 4.182 1.00 12.23 C ATOM 3086 CD2 TYR B 82 2.569 2.103 3.318 1.00 43.13 C ATOM 3087 CE1 TYR B 82 4.503 3.603 4.532 1.00 23.51 C ATOM 3088 CE2 TYR B 82 2.304 3.416 3.667 1.00 43.22 C ATOM 3089 CZ TYR B 82 3.288 4.157 4.277 1.00 55.30 C ATOM 3090 OH TYR B 82 3.072 5.473 4.614 1.00 61.14 O ATOM 0 H TYR B 82 3.348 -0.034 0.608 1.00 23.11 H new ATOM 0 HA TYR B 82 5.840 0.589 2.048 1.00 32.51 H new ATOM 0 HB2 TYR B 82 3.183 -0.429 3.092 1.00 72.55 H new ATOM 0 HB3 TYR B 82 4.662 -0.345 4.029 1.00 72.55 H new ATOM 0 HD1 TYR B 82 5.721 1.885 4.392 1.00 12.23 H new ATOM 0 HD2 TYR B 82 1.801 1.512 2.841 1.00 43.13 H new ATOM 0 HE1 TYR B 82 5.273 4.189 5.013 1.00 23.51 H new ATOM 0 HE2 TYR B 82 1.337 3.852 3.463 1.00 43.22 H new ATOM 0 HH TYR B 82 3.765 6.033 4.206 1.00 61.14 H new ATOM 3100 N ILE B 83 6.572 -1.692 1.582 1.00 72.33 N ATOM 3101 CA ILE B 83 7.059 -3.029 1.338 1.00 70.12 C ATOM 3102 C ILE B 83 7.518 -3.584 2.678 1.00 32.00 C ATOM 3103 O ILE B 83 8.340 -2.968 3.344 1.00 0.51 O ATOM 3104 CB ILE B 83 8.287 -2.996 0.376 1.00 22.55 C ATOM 3105 CG1 ILE B 83 7.967 -2.190 -0.910 1.00 4.43 C ATOM 3106 CG2 ILE B 83 8.737 -4.407 0.012 1.00 4.24 C ATOM 3107 CD1 ILE B 83 6.805 -2.714 -1.731 1.00 31.45 C ATOM 0 H ILE B 83 7.304 -0.986 1.662 1.00 72.33 H new ATOM 0 HA ILE B 83 6.275 -3.637 0.886 1.00 70.12 H new ATOM 0 HB ILE B 83 9.101 -2.498 0.902 1.00 22.55 H new ATOM 0 HG12 ILE B 83 7.756 -1.158 -0.629 1.00 4.43 H new ATOM 0 HG13 ILE B 83 8.857 -2.173 -1.539 1.00 4.43 H new ATOM 0 HG21 ILE B 83 9.594 -4.354 -0.659 1.00 4.24 H new ATOM 0 HG22 ILE B 83 9.018 -4.944 0.918 1.00 4.24 H new ATOM 0 HG23 ILE B 83 7.921 -4.933 -0.483 1.00 4.24 H new ATOM 0 HD11 ILE B 83 6.664 -2.081 -2.607 1.00 31.45 H new ATOM 0 HD12 ILE B 83 7.016 -3.734 -2.051 1.00 31.45 H new ATOM 0 HD13 ILE B 83 5.898 -2.704 -1.126 1.00 31.45 H new ATOM 3119 N GLU B 84 6.980 -4.691 3.098 1.00 53.13 N ATOM 3120 CA GLU B 84 7.379 -5.254 4.363 1.00 70.41 C ATOM 3121 C GLU B 84 8.222 -6.499 4.113 1.00 4.24 C ATOM 3122 O GLU B 84 7.805 -7.404 3.397 1.00 63.13 O ATOM 3123 CB GLU B 84 6.140 -5.528 5.254 1.00 43.43 C ATOM 3124 CG GLU B 84 5.210 -4.301 5.344 1.00 64.11 C ATOM 3125 CD GLU B 84 4.047 -4.409 6.325 1.00 64.24 C ATOM 3126 OE1 GLU B 84 3.128 -5.207 6.113 1.00 3.13 O ATOM 3127 OE2 GLU B 84 4.028 -3.645 7.288 1.00 54.35 O ATOM 0 H GLU B 84 6.270 -5.221 2.592 1.00 53.13 H new ATOM 0 HA GLU B 84 7.995 -4.543 4.914 1.00 70.41 H new ATOM 0 HB2 GLU B 84 5.584 -6.375 4.852 1.00 43.43 H new ATOM 0 HB3 GLU B 84 6.468 -5.808 6.255 1.00 43.43 H new ATOM 0 HG2 GLU B 84 5.811 -3.435 5.619 1.00 64.11 H new ATOM 0 HG3 GLU B 84 4.804 -4.105 4.352 1.00 64.11 H new ATOM 3134 N PHE B 85 9.414 -6.522 4.653 1.00 24.22 N ATOM 3135 CA PHE B 85 10.336 -7.624 4.444 1.00 22.43 C ATOM 3136 C PHE B 85 10.306 -8.635 5.564 1.00 71.42 C ATOM 3137 O PHE B 85 9.942 -8.327 6.690 1.00 50.12 O ATOM 3138 CB PHE B 85 11.761 -7.131 4.257 1.00 41.44 C ATOM 3139 CG PHE B 85 12.018 -6.413 2.975 1.00 0.43 C ATOM 3140 CD1 PHE B 85 12.364 -7.130 1.844 1.00 54.45 C ATOM 3141 CD2 PHE B 85 11.947 -5.036 2.894 1.00 71.35 C ATOM 3142 CE1 PHE B 85 12.633 -6.498 0.663 1.00 34.01 C ATOM 3143 CE2 PHE B 85 12.213 -4.393 1.704 1.00 31.11 C ATOM 3144 CZ PHE B 85 12.559 -5.133 0.589 1.00 65.33 C ATOM 0 H PHE B 85 9.779 -5.780 5.251 1.00 24.22 H new ATOM 0 HA PHE B 85 9.998 -8.118 3.533 1.00 22.43 H new ATOM 0 HB2 PHE B 85 12.011 -6.467 5.084 1.00 41.44 H new ATOM 0 HB3 PHE B 85 12.436 -7.985 4.319 1.00 41.44 H new ATOM 0 HD1 PHE B 85 12.422 -8.207 1.895 1.00 54.45 H new ATOM 0 HD2 PHE B 85 11.682 -4.460 3.768 1.00 71.35 H new ATOM 0 HE1 PHE B 85 12.903 -7.074 -0.210 1.00 34.01 H new ATOM 0 HE2 PHE B 85 12.151 -3.316 1.643 1.00 31.11 H new ATOM 0 HZ PHE B 85 12.772 -4.632 -0.344 1.00 65.33 H new ATOM 3154 N ALA B 86 10.672 -9.861 5.225 1.00 31.43 N ATOM 3155 CA ALA B 86 10.771 -10.935 6.191 1.00 12.35 C ATOM 3156 C ALA B 86 11.960 -10.708 7.110 1.00 22.14 C ATOM 3157 O ALA B 86 11.879 -10.945 8.303 1.00 71.42 O ATOM 3158 CB ALA B 86 10.894 -12.274 5.477 1.00 5.44 C ATOM 0 H ALA B 86 10.908 -10.136 4.272 1.00 31.43 H new ATOM 0 HA ALA B 86 9.865 -10.948 6.797 1.00 12.35 H new ATOM 0 HB1 ALA B 86 10.968 -13.074 6.214 1.00 5.44 H new ATOM 0 HB2 ALA B 86 10.015 -12.436 4.853 1.00 5.44 H new ATOM 0 HB3 ALA B 86 11.787 -12.273 4.852 1.00 5.44 H new ATOM 3164 N GLU B 87 13.059 -10.252 6.534 1.00 72.02 N ATOM 3165 CA GLU B 87 14.261 -9.951 7.283 1.00 72.45 C ATOM 3166 C GLU B 87 14.463 -8.464 7.428 1.00 25.54 C ATOM 3167 O GLU B 87 14.102 -7.684 6.544 1.00 74.21 O ATOM 3168 CB GLU B 87 15.485 -10.592 6.635 1.00 45.54 C ATOM 3169 CG GLU B 87 15.569 -12.090 6.829 1.00 63.45 C ATOM 3170 CD GLU B 87 15.719 -12.442 8.292 1.00 35.44 C ATOM 3171 OE1 GLU B 87 16.809 -12.211 8.858 1.00 71.12 O ATOM 3172 OE2 GLU B 87 14.753 -12.919 8.914 1.00 22.14 O ATOM 0 H GLU B 87 13.140 -10.081 5.532 1.00 72.02 H new ATOM 0 HA GLU B 87 14.136 -10.373 8.280 1.00 72.45 H new ATOM 0 HB2 GLU B 87 15.474 -10.374 5.567 1.00 45.54 H new ATOM 0 HB3 GLU B 87 16.384 -10.132 7.045 1.00 45.54 H new ATOM 0 HG2 GLU B 87 14.672 -12.563 6.428 1.00 63.45 H new ATOM 0 HG3 GLU B 87 16.416 -12.486 6.268 1.00 63.45 H new ATOM 3179 N ARG B 88 15.052 -8.069 8.539 1.00 63.44 N ATOM 3180 CA ARG B 88 15.307 -6.670 8.817 1.00 51.50 C ATOM 3181 C ARG B 88 16.465 -6.237 7.939 1.00 70.22 C ATOM 3182 O ARG B 88 16.519 -5.108 7.472 1.00 34.34 O ATOM 3183 CB ARG B 88 15.704 -6.490 10.287 1.00 30.31 C ATOM 3184 CG ARG B 88 15.074 -5.292 11.019 1.00 41.21 C ATOM 3185 CD ARG B 88 15.263 -3.943 10.322 1.00 64.43 C ATOM 3186 NE ARG B 88 16.666 -3.545 10.132 1.00 21.20 N ATOM 3187 CZ ARG B 88 17.254 -2.505 10.756 1.00 73.04 C ATOM 3188 NH1 ARG B 88 16.629 -1.866 11.744 1.00 13.21 N ATOM 3189 NH2 ARG B 88 18.463 -2.115 10.385 1.00 25.45 N ATOM 0 H ARG B 88 15.366 -8.706 9.271 1.00 63.44 H new ATOM 0 HA ARG B 88 14.414 -6.077 8.619 1.00 51.50 H new ATOM 0 HB2 ARG B 88 15.440 -7.399 10.827 1.00 30.31 H new ATOM 0 HB3 ARG B 88 16.788 -6.392 10.340 1.00 30.31 H new ATOM 0 HG2 ARG B 88 14.006 -5.477 11.138 1.00 41.21 H new ATOM 0 HG3 ARG B 88 15.500 -5.231 12.020 1.00 41.21 H new ATOM 0 HD2 ARG B 88 14.774 -3.980 9.348 1.00 64.43 H new ATOM 0 HD3 ARG B 88 14.756 -3.174 10.904 1.00 64.43 H new ATOM 0 HE ARG B 88 17.232 -4.093 9.484 1.00 21.20 H new ATOM 0 HH11 ARG B 88 15.697 -2.163 12.034 1.00 13.21 H new ATOM 0 HH12 ARG B 88 17.082 -1.080 12.210 1.00 13.21 H new ATOM 0 HH21 ARG B 88 18.946 -2.601 9.630 1.00 25.45 H new ATOM 0 HH22 ARG B 88 18.912 -1.328 10.855 1.00 25.45 H new ATOM 3203 N ASN B 89 17.383 -7.168 7.703 1.00 42.11 N ATOM 3204 CA ASN B 89 18.555 -6.909 6.872 1.00 50.23 C ATOM 3205 C ASN B 89 18.163 -6.584 5.453 1.00 32.42 C ATOM 3206 O ASN B 89 18.909 -5.909 4.728 1.00 30.42 O ATOM 3207 CB ASN B 89 19.543 -8.079 6.867 1.00 63.03 C ATOM 3208 CG ASN B 89 20.136 -8.391 8.227 1.00 40.25 C ATOM 3209 OD1 ASN B 89 20.210 -7.527 9.100 1.00 13.13 O ATOM 3210 ND2 ASN B 89 20.624 -9.581 8.393 1.00 2.31 N ATOM 0 H ASN B 89 17.338 -8.115 8.078 1.00 42.11 H new ATOM 0 HA ASN B 89 19.051 -6.047 7.318 1.00 50.23 H new ATOM 0 HB2 ASN B 89 19.036 -8.968 6.490 1.00 63.03 H new ATOM 0 HB3 ASN B 89 20.352 -7.855 6.172 1.00 63.03 H new ATOM 0 HD21 ASN B 89 21.087 -9.825 9.269 1.00 2.31 H new ATOM 0 HD22 ASN B 89 20.545 -10.273 7.648 1.00 2.31 H new ATOM 3217 N SER B 90 17.002 -7.061 5.030 1.00 63.55 N ATOM 3218 CA SER B 90 16.508 -6.773 3.725 1.00 73.02 C ATOM 3219 C SER B 90 16.191 -5.281 3.596 1.00 4.05 C ATOM 3220 O SER B 90 16.442 -4.677 2.554 1.00 51.55 O ATOM 3221 CB SER B 90 15.269 -7.611 3.445 1.00 61.21 C ATOM 3222 OG SER B 90 15.533 -9.007 3.576 1.00 32.13 O ATOM 0 H SER B 90 16.391 -7.654 5.591 1.00 63.55 H new ATOM 0 HA SER B 90 17.273 -7.025 2.990 1.00 73.02 H new ATOM 0 HB2 SER B 90 14.474 -7.325 4.133 1.00 61.21 H new ATOM 0 HB3 SER B 90 14.909 -7.402 2.438 1.00 61.21 H new ATOM 0 HG SER B 90 16.468 -9.186 3.345 1.00 32.13 H new ATOM 3228 N VAL B 91 15.674 -4.674 4.680 1.00 45.04 N ATOM 3229 CA VAL B 91 15.335 -3.259 4.627 1.00 21.55 C ATOM 3230 C VAL B 91 16.611 -2.450 4.506 1.00 3.40 C ATOM 3231 O VAL B 91 16.650 -1.475 3.777 1.00 43.20 O ATOM 3232 CB VAL B 91 14.461 -2.746 5.829 1.00 21.32 C ATOM 3233 CG1 VAL B 91 13.328 -3.681 6.144 1.00 53.44 C ATOM 3234 CG2 VAL B 91 15.240 -2.315 7.072 1.00 61.25 C ATOM 0 H VAL B 91 15.490 -5.132 5.572 1.00 45.04 H new ATOM 0 HA VAL B 91 14.703 -3.123 3.749 1.00 21.55 H new ATOM 0 HB VAL B 91 14.026 -1.814 5.468 1.00 21.32 H new ATOM 0 HG11 VAL B 91 12.752 -3.286 6.981 1.00 53.44 H new ATOM 0 HG12 VAL B 91 12.682 -3.777 5.271 1.00 53.44 H new ATOM 0 HG13 VAL B 91 13.727 -4.660 6.409 1.00 53.44 H new ATOM 0 HG21 VAL B 91 14.543 -1.979 7.840 1.00 61.25 H new ATOM 0 HG22 VAL B 91 15.818 -3.159 7.450 1.00 61.25 H new ATOM 0 HG23 VAL B 91 15.916 -1.500 6.813 1.00 61.25 H new ATOM 3244 N ASP B 92 17.675 -2.882 5.220 1.00 45.20 N ATOM 3245 CA ASP B 92 18.992 -2.225 5.138 1.00 4.45 C ATOM 3246 C ASP B 92 19.511 -2.189 3.709 1.00 64.23 C ATOM 3247 O ASP B 92 20.132 -1.220 3.283 1.00 14.10 O ATOM 3248 CB ASP B 92 20.023 -2.929 6.030 1.00 73.45 C ATOM 3249 CG ASP B 92 19.746 -2.818 7.511 1.00 65.33 C ATOM 3250 OD1 ASP B 92 19.055 -3.677 8.072 1.00 44.35 O ATOM 3251 OD2 ASP B 92 20.260 -1.880 8.151 1.00 23.34 O ATOM 0 H ASP B 92 17.644 -3.679 5.856 1.00 45.20 H new ATOM 0 HA ASP B 92 18.853 -1.203 5.489 1.00 4.45 H new ATOM 0 HB2 ASP B 92 20.061 -3.984 5.758 1.00 73.45 H new ATOM 0 HB3 ASP B 92 21.009 -2.511 5.825 1.00 73.45 H new ATOM 3256 N ALA B 93 19.271 -3.249 2.977 1.00 54.42 N ATOM 3257 CA ALA B 93 19.675 -3.306 1.585 1.00 0.04 C ATOM 3258 C ALA B 93 18.772 -2.426 0.712 1.00 65.43 C ATOM 3259 O ALA B 93 19.212 -1.859 -0.285 1.00 42.23 O ATOM 3260 CB ALA B 93 19.685 -4.739 1.093 1.00 21.34 C ATOM 0 H ALA B 93 18.798 -4.086 3.318 1.00 54.42 H new ATOM 0 HA ALA B 93 20.689 -2.914 1.508 1.00 0.04 H new ATOM 0 HB1 ALA B 93 19.990 -4.762 0.047 1.00 21.34 H new ATOM 0 HB2 ALA B 93 20.386 -5.323 1.689 1.00 21.34 H new ATOM 0 HB3 ALA B 93 18.686 -5.164 1.189 1.00 21.34 H new ATOM 3266 N ALA B 94 17.517 -2.307 1.106 1.00 14.43 N ATOM 3267 CA ALA B 94 16.542 -1.534 0.349 1.00 75.45 C ATOM 3268 C ALA B 94 16.738 -0.034 0.554 1.00 53.34 C ATOM 3269 O ALA B 94 16.634 0.741 -0.383 1.00 64.33 O ATOM 3270 CB ALA B 94 15.119 -1.958 0.691 1.00 70.12 C ATOM 0 H ALA B 94 17.145 -2.738 1.952 1.00 14.43 H new ATOM 0 HA ALA B 94 16.706 -1.743 -0.708 1.00 75.45 H new ATOM 0 HB1 ALA B 94 14.413 -1.364 0.111 1.00 70.12 H new ATOM 0 HB2 ALA B 94 14.987 -3.013 0.453 1.00 70.12 H new ATOM 0 HB3 ALA B 94 14.938 -1.800 1.754 1.00 70.12 H new ATOM 3276 N VAL B 95 17.022 0.363 1.795 1.00 51.01 N ATOM 3277 CA VAL B 95 17.273 1.777 2.136 1.00 3.33 C ATOM 3278 C VAL B 95 18.406 2.395 1.321 1.00 62.41 C ATOM 3279 O VAL B 95 18.485 3.607 1.193 1.00 43.32 O ATOM 3280 CB VAL B 95 17.472 2.066 3.649 1.00 1.43 C ATOM 3281 CG1 VAL B 95 16.276 1.598 4.446 1.00 3.12 C ATOM 3282 CG2 VAL B 95 18.751 1.445 4.176 1.00 21.53 C ATOM 0 H VAL B 95 17.086 -0.273 2.590 1.00 51.01 H new ATOM 0 HA VAL B 95 16.340 2.266 1.857 1.00 3.33 H new ATOM 0 HB VAL B 95 17.563 3.146 3.767 1.00 1.43 H new ATOM 0 HG11 VAL B 95 16.437 1.810 5.503 1.00 3.12 H new ATOM 0 HG12 VAL B 95 15.383 2.121 4.103 1.00 3.12 H new ATOM 0 HG13 VAL B 95 16.144 0.525 4.308 1.00 3.12 H new ATOM 0 HG21 VAL B 95 18.854 1.670 5.238 1.00 21.53 H new ATOM 0 HG22 VAL B 95 18.716 0.365 4.035 1.00 21.53 H new ATOM 0 HG23 VAL B 95 19.604 1.854 3.634 1.00 21.53 H new ATOM 3292 N ALA B 96 19.287 1.562 0.779 1.00 32.12 N ATOM 3293 CA ALA B 96 20.360 2.037 -0.090 1.00 51.44 C ATOM 3294 C ALA B 96 19.771 2.644 -1.380 1.00 31.35 C ATOM 3295 O ALA B 96 20.422 3.429 -2.074 1.00 33.40 O ATOM 3296 CB ALA B 96 21.320 0.906 -0.419 1.00 63.02 C ATOM 0 H ALA B 96 19.280 0.553 0.926 1.00 32.12 H new ATOM 0 HA ALA B 96 20.917 2.813 0.435 1.00 51.44 H new ATOM 0 HB1 ALA B 96 22.113 1.279 -1.067 1.00 63.02 H new ATOM 0 HB2 ALA B 96 21.756 0.519 0.502 1.00 63.02 H new ATOM 0 HB3 ALA B 96 20.780 0.107 -0.928 1.00 63.02 H new ATOM 3302 N MET B 97 18.517 2.294 -1.663 1.00 54.34 N ATOM 3303 CA MET B 97 17.804 2.816 -2.820 1.00 31.42 C ATOM 3304 C MET B 97 16.961 4.021 -2.438 1.00 61.40 C ATOM 3305 O MET B 97 16.123 4.463 -3.235 1.00 30.23 O ATOM 3306 CB MET B 97 16.896 1.768 -3.478 1.00 41.25 C ATOM 3307 CG MET B 97 17.603 0.566 -4.071 1.00 32.21 C ATOM 3308 SD MET B 97 16.513 -0.415 -5.137 1.00 54.31 S ATOM 3309 CE MET B 97 15.105 -0.723 -4.081 1.00 64.24 C ATOM 0 H MET B 97 17.972 1.643 -1.097 1.00 54.34 H new ATOM 0 HA MET B 97 18.570 3.105 -3.540 1.00 31.42 H new ATOM 0 HB2 MET B 97 16.181 1.416 -2.735 1.00 41.25 H new ATOM 0 HB3 MET B 97 16.322 2.255 -4.267 1.00 41.25 H new ATOM 0 HG2 MET B 97 18.465 0.902 -4.647 1.00 32.21 H new ATOM 0 HG3 MET B 97 17.983 -0.063 -3.266 1.00 32.21 H new ATOM 0 HE1 MET B 97 14.660 -1.684 -4.339 1.00 64.24 H new ATOM 0 HE2 MET B 97 15.428 -0.740 -3.040 1.00 64.24 H new ATOM 0 HE3 MET B 97 14.367 0.067 -4.219 1.00 64.24 H new ATOM 3319 N ASP B 98 17.227 4.558 -1.231 1.00 52.30 N ATOM 3320 CA ASP B 98 16.517 5.722 -0.626 1.00 54.03 C ATOM 3321 C ASP B 98 16.066 6.754 -1.640 1.00 2.44 C ATOM 3322 O ASP B 98 14.890 7.078 -1.661 1.00 42.41 O ATOM 3323 CB ASP B 98 17.430 6.357 0.429 1.00 1.43 C ATOM 3324 CG ASP B 98 16.874 7.585 1.126 1.00 21.12 C ATOM 3325 OD1 ASP B 98 16.995 8.694 0.598 1.00 64.23 O ATOM 3326 OD2 ASP B 98 16.354 7.461 2.249 1.00 12.45 O ATOM 0 H ASP B 98 17.961 4.190 -0.626 1.00 52.30 H new ATOM 0 HA ASP B 98 15.601 5.349 -0.168 1.00 54.03 H new ATOM 0 HB2 ASP B 98 17.659 5.605 1.184 1.00 1.43 H new ATOM 0 HB3 ASP B 98 18.372 6.628 -0.048 1.00 1.43 H new ATOM 3331 N GLU B 99 16.954 7.283 -2.464 1.00 15.31 N ATOM 3332 CA GLU B 99 16.495 8.136 -3.547 1.00 53.12 C ATOM 3333 C GLU B 99 16.978 7.666 -4.913 1.00 61.41 C ATOM 3334 O GLU B 99 17.794 8.325 -5.573 1.00 24.34 O ATOM 3335 CB GLU B 99 16.780 9.617 -3.312 1.00 51.11 C ATOM 3336 CG GLU B 99 16.054 10.187 -2.111 1.00 71.33 C ATOM 3337 CD GLU B 99 16.312 11.643 -1.919 1.00 51.34 C ATOM 3338 OE1 GLU B 99 15.557 12.466 -2.479 1.00 61.23 O ATOM 3339 OE2 GLU B 99 17.274 11.996 -1.196 1.00 74.30 O ATOM 0 H GLU B 99 17.963 7.144 -2.410 1.00 15.31 H new ATOM 0 HA GLU B 99 15.409 8.037 -3.550 1.00 53.12 H new ATOM 0 HB2 GLU B 99 17.853 9.756 -3.178 1.00 51.11 H new ATOM 0 HB3 GLU B 99 16.494 10.180 -4.201 1.00 51.11 H new ATOM 0 HG2 GLU B 99 14.983 10.025 -2.229 1.00 71.33 H new ATOM 0 HG3 GLU B 99 16.362 9.647 -1.216 1.00 71.33 H new ATOM 3346 N THR B 100 16.557 6.482 -5.278 1.00 44.45 N ATOM 3347 CA THR B 100 16.830 5.951 -6.600 1.00 41.33 C ATOM 3348 C THR B 100 15.719 6.283 -7.579 1.00 62.54 C ATOM 3349 O THR B 100 14.679 6.828 -7.199 1.00 44.31 O ATOM 3350 CB THR B 100 17.075 4.431 -6.593 1.00 31.30 C ATOM 3351 OG1 THR B 100 15.999 3.745 -5.922 1.00 24.01 O ATOM 3352 CG2 THR B 100 18.399 4.100 -5.948 1.00 12.33 C ATOM 0 H THR B 100 16.019 5.859 -4.676 1.00 44.45 H new ATOM 0 HA THR B 100 17.749 6.437 -6.927 1.00 41.33 H new ATOM 0 HB THR B 100 17.108 4.091 -7.628 1.00 31.30 H new ATOM 0 HG1 THR B 100 15.991 3.997 -4.975 1.00 24.01 H new ATOM 0 HG21 THR B 100 18.548 3.020 -5.956 1.00 12.33 H new ATOM 0 HG22 THR B 100 19.204 4.581 -6.503 1.00 12.33 H new ATOM 0 HG23 THR B 100 18.402 4.459 -4.919 1.00 12.33 H new ATOM 3360 N VAL B 101 15.924 5.939 -8.820 1.00 72.51 N ATOM 3361 CA VAL B 101 14.961 6.206 -9.839 1.00 0.21 C ATOM 3362 C VAL B 101 14.187 4.918 -10.149 1.00 54.34 C ATOM 3363 O VAL B 101 14.758 3.811 -10.177 1.00 44.04 O ATOM 3364 CB VAL B 101 15.632 6.795 -11.117 1.00 41.41 C ATOM 3365 CG1 VAL B 101 16.629 5.827 -11.705 1.00 64.53 C ATOM 3366 CG2 VAL B 101 14.601 7.224 -12.155 1.00 62.44 C ATOM 0 H VAL B 101 16.766 5.466 -9.149 1.00 72.51 H new ATOM 0 HA VAL B 101 14.262 6.961 -9.481 1.00 0.21 H new ATOM 0 HB VAL B 101 16.173 7.691 -10.813 1.00 41.41 H new ATOM 0 HG11 VAL B 101 17.080 6.265 -12.595 1.00 64.53 H new ATOM 0 HG12 VAL B 101 17.406 5.614 -10.971 1.00 64.53 H new ATOM 0 HG13 VAL B 101 16.121 4.901 -11.974 1.00 64.53 H new ATOM 0 HG21 VAL B 101 15.111 7.628 -13.029 1.00 62.44 H new ATOM 0 HG22 VAL B 101 14.002 6.363 -12.451 1.00 62.44 H new ATOM 0 HG23 VAL B 101 13.951 7.988 -11.728 1.00 62.44 H new ATOM 3376 N PHE B 102 12.912 5.060 -10.306 1.00 25.05 N ATOM 3377 CA PHE B 102 12.027 3.981 -10.585 1.00 75.00 C ATOM 3378 C PHE B 102 10.964 4.467 -11.551 1.00 52.34 C ATOM 3379 O PHE B 102 10.232 5.412 -11.249 1.00 14.21 O ATOM 3380 CB PHE B 102 11.407 3.512 -9.262 1.00 73.43 C ATOM 3381 CG PHE B 102 10.434 2.377 -9.348 1.00 62.32 C ATOM 3382 CD1 PHE B 102 10.878 1.070 -9.395 1.00 13.23 C ATOM 3383 CD2 PHE B 102 9.070 2.618 -9.360 1.00 45.15 C ATOM 3384 CE1 PHE B 102 9.985 0.024 -9.458 1.00 3.03 C ATOM 3385 CE2 PHE B 102 8.174 1.579 -9.421 1.00 11.01 C ATOM 3386 CZ PHE B 102 8.630 0.280 -9.468 1.00 20.32 C ATOM 0 H PHE B 102 12.443 5.963 -10.241 1.00 25.05 H new ATOM 0 HA PHE B 102 12.551 3.142 -11.042 1.00 75.00 H new ATOM 0 HB2 PHE B 102 12.215 3.219 -8.591 1.00 73.43 H new ATOM 0 HB3 PHE B 102 10.902 4.361 -8.802 1.00 73.43 H new ATOM 0 HD1 PHE B 102 11.938 0.866 -9.382 1.00 13.23 H new ATOM 0 HD2 PHE B 102 8.707 3.634 -9.321 1.00 45.15 H new ATOM 0 HE1 PHE B 102 10.344 -0.994 -9.499 1.00 3.03 H new ATOM 0 HE2 PHE B 102 7.113 1.780 -9.432 1.00 11.01 H new ATOM 0 HZ PHE B 102 7.926 -0.538 -9.513 1.00 20.32 H new ATOM 3396 N ARG B 103 10.920 3.851 -12.720 1.00 10.33 N ATOM 3397 CA ARG B 103 9.958 4.155 -13.783 1.00 74.33 C ATOM 3398 C ARG B 103 9.965 5.628 -14.213 1.00 4.01 C ATOM 3399 O ARG B 103 8.949 6.179 -14.644 1.00 72.22 O ATOM 3400 CB ARG B 103 8.579 3.667 -13.392 1.00 25.14 C ATOM 3401 CG ARG B 103 8.577 2.168 -13.125 1.00 54.20 C ATOM 3402 CD ARG B 103 7.195 1.642 -12.935 1.00 22.42 C ATOM 3403 NE ARG B 103 6.406 1.780 -14.163 1.00 50.54 N ATOM 3404 CZ ARG B 103 5.236 2.390 -14.250 1.00 32.33 C ATOM 3405 NH1 ARG B 103 4.722 2.951 -13.186 1.00 12.43 N ATOM 3406 NH2 ARG B 103 4.602 2.444 -15.409 1.00 75.13 N ATOM 0 H ARG B 103 11.568 3.104 -12.970 1.00 10.33 H new ATOM 0 HA ARG B 103 10.274 3.611 -14.673 1.00 74.33 H new ATOM 0 HB2 ARG B 103 8.242 4.198 -12.501 1.00 25.14 H new ATOM 0 HB3 ARG B 103 7.870 3.898 -14.187 1.00 25.14 H new ATOM 0 HG2 ARG B 103 9.052 1.650 -13.958 1.00 54.20 H new ATOM 0 HG3 ARG B 103 9.172 1.956 -12.237 1.00 54.20 H new ATOM 0 HD2 ARG B 103 7.239 0.593 -12.643 1.00 22.42 H new ATOM 0 HD3 ARG B 103 6.706 2.179 -12.122 1.00 22.42 H new ATOM 0 HE ARG B 103 6.789 1.374 -15.017 1.00 50.54 H new ATOM 0 HH11 ARG B 103 5.223 2.916 -12.298 1.00 12.43 H new ATOM 0 HH12 ARG B 103 3.820 3.424 -13.244 1.00 12.43 H new ATOM 0 HH21 ARG B 103 5.015 2.015 -16.237 1.00 75.13 H new ATOM 0 HH22 ARG B 103 3.700 2.915 -15.475 1.00 75.13 H new ATOM 3420 N GLY B 104 11.143 6.223 -14.151 1.00 13.25 N ATOM 3421 CA GLY B 104 11.334 7.579 -14.632 1.00 60.20 C ATOM 3422 C GLY B 104 11.209 8.641 -13.560 1.00 62.45 C ATOM 3423 O GLY B 104 11.367 9.829 -13.838 1.00 71.31 O ATOM 0 H GLY B 104 11.983 5.787 -13.771 1.00 13.25 H new ATOM 0 HA2 GLY B 104 12.320 7.655 -15.089 1.00 60.20 H new ATOM 0 HA3 GLY B 104 10.603 7.781 -15.415 1.00 60.20 H new ATOM 3427 N ARG B 105 10.932 8.235 -12.351 1.00 71.23 N ATOM 3428 CA ARG B 105 10.813 9.173 -11.254 1.00 5.20 C ATOM 3429 C ARG B 105 11.642 8.683 -10.090 1.00 1.55 C ATOM 3430 O ARG B 105 11.985 7.519 -10.030 1.00 14.11 O ATOM 3431 CB ARG B 105 9.349 9.368 -10.837 1.00 10.11 C ATOM 3432 CG ARG B 105 8.657 8.098 -10.378 1.00 54.14 C ATOM 3433 CD ARG B 105 7.245 8.367 -9.909 1.00 72.42 C ATOM 3434 NE ARG B 105 6.356 8.857 -10.960 1.00 23.54 N ATOM 3435 CZ ARG B 105 5.139 9.382 -10.733 1.00 0.22 C ATOM 3436 NH1 ARG B 105 4.724 9.607 -9.483 1.00 41.52 N ATOM 3437 NH2 ARG B 105 4.351 9.699 -11.755 1.00 22.14 N ATOM 0 H ARG B 105 10.783 7.259 -12.094 1.00 71.23 H new ATOM 0 HA ARG B 105 11.184 10.144 -11.581 1.00 5.20 H new ATOM 0 HB2 ARG B 105 9.307 10.102 -10.032 1.00 10.11 H new ATOM 0 HB3 ARG B 105 8.796 9.786 -11.678 1.00 10.11 H new ATOM 0 HG2 ARG B 105 8.637 7.378 -11.196 1.00 54.14 H new ATOM 0 HG3 ARG B 105 9.229 7.644 -9.568 1.00 54.14 H new ATOM 0 HD2 ARG B 105 6.829 7.449 -9.494 1.00 72.42 H new ATOM 0 HD3 ARG B 105 7.274 9.098 -9.101 1.00 72.42 H new ATOM 0 HE ARG B 105 6.679 8.797 -11.926 1.00 23.54 H new ATOM 0 HH11 ARG B 105 5.331 9.380 -8.695 1.00 41.52 H new ATOM 0 HH12 ARG B 105 3.800 10.005 -9.316 1.00 41.52 H new ATOM 0 HH21 ARG B 105 4.669 9.544 -12.712 1.00 22.14 H new ATOM 0 HH22 ARG B 105 3.428 10.097 -11.583 1.00 22.14 H new ATOM 3451 N THR B 106 11.965 9.547 -9.191 1.00 51.02 N ATOM 3452 CA THR B 106 12.761 9.175 -8.050 1.00 42.51 C ATOM 3453 C THR B 106 11.842 8.792 -6.904 1.00 11.05 C ATOM 3454 O THR B 106 10.939 9.553 -6.565 1.00 50.22 O ATOM 3455 CB THR B 106 13.654 10.356 -7.635 1.00 63.32 C ATOM 3456 OG1 THR B 106 14.467 10.736 -8.756 1.00 55.13 O ATOM 3457 CG2 THR B 106 14.554 9.999 -6.459 1.00 3.13 C ATOM 0 H THR B 106 11.691 10.529 -9.216 1.00 51.02 H new ATOM 0 HA THR B 106 13.395 8.326 -8.305 1.00 42.51 H new ATOM 0 HB THR B 106 13.011 11.179 -7.324 1.00 63.32 H new ATOM 0 HG1 THR B 106 15.040 11.490 -8.504 1.00 55.13 H new ATOM 0 HG21 THR B 106 15.169 10.860 -6.197 1.00 3.13 H new ATOM 0 HG22 THR B 106 13.940 9.717 -5.603 1.00 3.13 H new ATOM 0 HG23 THR B 106 15.198 9.164 -6.734 1.00 3.13 H new ATOM 3465 N ILE B 107 12.032 7.621 -6.326 1.00 55.02 N ATOM 3466 CA ILE B 107 11.194 7.271 -5.194 1.00 21.23 C ATOM 3467 C ILE B 107 11.957 7.441 -3.905 1.00 24.12 C ATOM 3468 O ILE B 107 13.153 7.728 -3.915 1.00 42.41 O ATOM 3469 CB ILE B 107 10.507 5.837 -5.243 1.00 53.24 C ATOM 3470 CG1 ILE B 107 11.450 4.624 -4.912 1.00 62.14 C ATOM 3471 CG2 ILE B 107 9.793 5.629 -6.571 1.00 63.20 C ATOM 3472 CD1 ILE B 107 12.532 4.284 -5.908 1.00 4.11 C ATOM 0 H ILE B 107 12.724 6.925 -6.603 1.00 55.02 H new ATOM 0 HA ILE B 107 10.361 7.971 -5.251 1.00 21.23 H new ATOM 0 HB ILE B 107 9.782 5.846 -4.429 1.00 53.24 H new ATOM 0 HG12 ILE B 107 11.928 4.823 -3.953 1.00 62.14 H new ATOM 0 HG13 ILE B 107 10.826 3.740 -4.780 1.00 62.14 H new ATOM 0 HG21 ILE B 107 9.330 4.642 -6.584 1.00 63.20 H new ATOM 0 HG22 ILE B 107 9.025 6.392 -6.695 1.00 63.20 H new ATOM 0 HG23 ILE B 107 10.512 5.703 -7.386 1.00 63.20 H new ATOM 0 HD11 ILE B 107 13.102 3.428 -5.548 1.00 4.11 H new ATOM 0 HD12 ILE B 107 12.079 4.040 -6.869 1.00 4.11 H new ATOM 0 HD13 ILE B 107 13.198 5.139 -6.028 1.00 4.11 H new ATOM 3484 N LYS B 108 11.264 7.307 -2.816 1.00 1.21 N ATOM 3485 CA LYS B 108 11.834 7.467 -1.509 1.00 30.25 C ATOM 3486 C LYS B 108 11.672 6.166 -0.780 1.00 23.01 C ATOM 3487 O LYS B 108 10.565 5.662 -0.678 1.00 5.13 O ATOM 3488 CB LYS B 108 11.119 8.603 -0.745 1.00 31.00 C ATOM 3489 CG LYS B 108 11.550 8.780 0.718 1.00 23.23 C ATOM 3490 CD LYS B 108 13.023 9.137 0.861 1.00 12.23 C ATOM 3491 CE LYS B 108 13.401 9.284 2.327 1.00 23.33 C ATOM 3492 NZ LYS B 108 14.816 9.657 2.504 1.00 55.53 N ATOM 0 H LYS B 108 10.270 7.080 -2.808 1.00 1.21 H new ATOM 0 HA LYS B 108 12.889 7.732 -1.585 1.00 30.25 H new ATOM 0 HB2 LYS B 108 11.293 9.540 -1.274 1.00 31.00 H new ATOM 0 HB3 LYS B 108 10.045 8.417 -0.771 1.00 31.00 H new ATOM 0 HG2 LYS B 108 10.945 9.562 1.178 1.00 23.23 H new ATOM 0 HG3 LYS B 108 11.350 7.859 1.265 1.00 23.23 H new ATOM 0 HD2 LYS B 108 13.636 8.364 0.398 1.00 12.23 H new ATOM 0 HD3 LYS B 108 13.230 10.067 0.332 1.00 12.23 H new ATOM 0 HE2 LYS B 108 12.767 10.041 2.789 1.00 23.33 H new ATOM 0 HE3 LYS B 108 13.207 8.345 2.846 1.00 23.33 H new ATOM 0 HZ1 LYS B 108 14.900 10.342 3.282 1.00 55.53 H new ATOM 0 HZ2 LYS B 108 15.373 8.808 2.729 1.00 55.53 H new ATOM 0 HZ3 LYS B 108 15.175 10.084 1.626 1.00 55.53 H new ATOM 3506 N VAL B 109 12.753 5.622 -0.296 1.00 13.22 N ATOM 3507 CA VAL B 109 12.729 4.377 0.434 1.00 54.12 C ATOM 3508 C VAL B 109 13.135 4.692 1.869 1.00 52.34 C ATOM 3509 O VAL B 109 14.263 5.095 2.122 1.00 12.32 O ATOM 3510 CB VAL B 109 13.702 3.338 -0.190 1.00 45.51 C ATOM 3511 CG1 VAL B 109 13.623 2.016 0.521 1.00 32.23 C ATOM 3512 CG2 VAL B 109 13.424 3.160 -1.676 1.00 62.21 C ATOM 0 H VAL B 109 13.683 6.029 -0.395 1.00 13.22 H new ATOM 0 HA VAL B 109 11.732 3.938 0.396 1.00 54.12 H new ATOM 0 HB VAL B 109 14.715 3.724 -0.070 1.00 45.51 H new ATOM 0 HG11 VAL B 109 14.316 1.313 0.059 1.00 32.23 H new ATOM 0 HG12 VAL B 109 13.888 2.151 1.570 1.00 32.23 H new ATOM 0 HG13 VAL B 109 12.608 1.625 0.450 1.00 32.23 H new ATOM 0 HG21 VAL B 109 14.117 2.428 -2.091 1.00 62.21 H new ATOM 0 HG22 VAL B 109 12.401 2.810 -1.815 1.00 62.21 H new ATOM 0 HG23 VAL B 109 13.554 4.114 -2.187 1.00 62.21 H new ATOM 3522 N LEU B 110 12.218 4.522 2.788 1.00 15.30 N ATOM 3523 CA LEU B 110 12.370 4.970 4.168 1.00 31.41 C ATOM 3524 C LEU B 110 11.779 3.854 5.058 1.00 2.35 C ATOM 3525 O LEU B 110 10.698 3.440 4.794 1.00 41.33 O ATOM 3526 CB LEU B 110 11.462 6.238 4.245 1.00 70.20 C ATOM 3527 CG LEU B 110 11.515 7.204 5.445 1.00 44.24 C ATOM 3528 CD1 LEU B 110 10.496 8.306 5.231 1.00 25.22 C ATOM 3529 CD2 LEU B 110 11.216 6.511 6.749 1.00 42.43 C ATOM 0 H LEU B 110 11.326 4.062 2.605 1.00 15.30 H new ATOM 0 HA LEU B 110 13.395 5.179 4.476 1.00 31.41 H new ATOM 0 HB2 LEU B 110 11.671 6.830 3.354 1.00 70.20 H new ATOM 0 HB3 LEU B 110 10.431 5.893 4.163 1.00 70.20 H new ATOM 0 HG LEU B 110 12.526 7.606 5.506 1.00 44.24 H new ATOM 0 HD11 LEU B 110 10.524 8.996 6.074 1.00 25.22 H new ATOM 0 HD12 LEU B 110 10.730 8.845 4.313 1.00 25.22 H new ATOM 0 HD13 LEU B 110 9.500 7.870 5.152 1.00 25.22 H new ATOM 0 HD21 LEU B 110 11.265 7.233 7.564 1.00 42.43 H new ATOM 0 HD22 LEU B 110 10.217 6.076 6.709 1.00 42.43 H new ATOM 0 HD23 LEU B 110 11.949 5.722 6.918 1.00 42.43 H new ATOM 3541 N PRO B 111 12.477 3.330 6.091 1.00 5.44 N ATOM 3542 CA PRO B 111 11.893 2.293 6.977 1.00 61.35 C ATOM 3543 C PRO B 111 10.631 2.805 7.720 1.00 44.52 C ATOM 3544 O PRO B 111 10.655 3.863 8.371 1.00 12.55 O ATOM 3545 CB PRO B 111 13.027 1.985 7.964 1.00 74.02 C ATOM 3546 CG PRO B 111 14.259 2.440 7.267 1.00 14.14 C ATOM 3547 CD PRO B 111 13.855 3.648 6.474 1.00 45.22 C ATOM 0 HA PRO B 111 11.556 1.418 6.422 1.00 61.35 H new ATOM 0 HB2 PRO B 111 12.887 2.513 8.907 1.00 74.02 H new ATOM 0 HB3 PRO B 111 13.073 0.921 8.197 1.00 74.02 H new ATOM 0 HG2 PRO B 111 15.045 2.686 7.981 1.00 14.14 H new ATOM 0 HG3 PRO B 111 14.652 1.658 6.617 1.00 14.14 H new ATOM 0 HD2 PRO B 111 13.911 4.560 7.068 1.00 45.22 H new ATOM 0 HD3 PRO B 111 14.495 3.794 5.604 1.00 45.22 H new ATOM 3555 N LYS B 112 9.557 2.032 7.650 1.00 60.02 N ATOM 3556 CA LYS B 112 8.262 2.433 8.198 1.00 50.53 C ATOM 3557 C LYS B 112 8.139 2.030 9.657 1.00 75.21 C ATOM 3558 O LYS B 112 8.390 0.887 9.994 1.00 34.21 O ATOM 3559 CB LYS B 112 7.099 1.762 7.421 1.00 60.33 C ATOM 3560 CG LYS B 112 5.690 2.171 7.920 1.00 73.14 C ATOM 3561 CD LYS B 112 4.556 1.316 7.312 1.00 61.20 C ATOM 3562 CE LYS B 112 4.643 -0.135 7.770 1.00 33.41 C ATOM 3563 NZ LYS B 112 3.580 -1.011 7.208 1.00 2.45 N ATOM 0 H LYS B 112 9.555 1.110 7.213 1.00 60.02 H new ATOM 0 HA LYS B 112 8.201 3.517 8.103 1.00 50.53 H new ATOM 0 HB2 LYS B 112 7.187 2.016 6.365 1.00 60.33 H new ATOM 0 HB3 LYS B 112 7.201 0.680 7.498 1.00 60.33 H new ATOM 0 HG2 LYS B 112 5.658 2.086 9.006 1.00 73.14 H new ATOM 0 HG3 LYS B 112 5.516 3.219 7.677 1.00 73.14 H new ATOM 0 HD2 LYS B 112 3.591 1.732 7.600 1.00 61.20 H new ATOM 0 HD3 LYS B 112 4.610 1.359 6.224 1.00 61.20 H new ATOM 0 HE2 LYS B 112 5.617 -0.536 7.489 1.00 33.41 H new ATOM 0 HE3 LYS B 112 4.588 -0.166 8.858 1.00 33.41 H new ATOM 0 HZ1 LYS B 112 3.772 -2.000 7.467 1.00 2.45 H new ATOM 0 HZ2 LYS B 112 2.656 -0.726 7.592 1.00 2.45 H new ATOM 0 HZ3 LYS B 112 3.567 -0.921 6.172 1.00 2.45 H new