USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=48 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 38 SER OG : rot 147:sc= -1.16! USER MOD Set 1.2: B 112 LYS NZ :NH3+ -169:sc= 2.3 (180deg=1.89) USER MOD Set 2.1: B 74 SER OG : rot -130:sc= 1.03 USER MOD Set 2.2: B 78 LYS NZ :NH3+ -170:sc= 1.08 (180deg=-0.369) USER MOD Set 3.1: A 74 SER OG : rot 143:sc= 1.01 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -171:sc= 0.647 (180deg=-0.788) USER MOD Set 4.1: A 60 CYS SG : rot -130:sc= -0.117 USER MOD Set 4.2: A 97 MET CE :methyl 174:sc= -0.686 (180deg=-1.05) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.24 (180deg=0.988) USER MOD Single : A 38 SER OG : rot -11:sc= -4.68! USER MOD Single : A 40 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 43 ASN : amide:sc= -5.38! C(o=-5.4!,f=-14!) USER MOD Single : A 46 TYR OH : rot -6:sc= -1.01! USER MOD Single : A 48 SER OG : rot 80:sc= 0.575 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 56 HIS : no HD1:sc= 0.43 K(o=0.43,f=-3.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 0.179 USER MOD Single : A 70 CYS SG : rot 170:sc= -0.138 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0.979 (180deg=0.554) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 30:sc= 1.41 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.137 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -166:sc= 0.66 (180deg=0.501) USER MOD Single : A 112 LYS NZ :NH3+ -142:sc= 2.45 (180deg=0.827) USER MOD Single : B 24 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.38) USER MOD Single : B 27 SER OG : rot 180:sc= 0.0675 USER MOD Single : B 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0442) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 LYS NZ :NH3+ 160:sc= 1.3 (180deg=1.18) USER MOD Single : B 40 TYR OH : rot -175:sc= -0.393 USER MOD Single : B 43 ASN : amide:sc= -0.577 K(o=-0.58,f=-0.045) USER MOD Single : B 46 TYR OH : rot 60:sc= 0.932 USER MOD Single : B 48 SER OG : rot -84:sc= 1.84 USER MOD Single : B 49 THR OG1 : rot 120:sc= -1.78! USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 HIS : no HD1:sc= 0.464 K(o=0.46,f=-4!) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 CYS SG : rot -160:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -3.31! K(o=-3.3!,f=-0.37) USER MOD Single : B 67 THR OG1 : rot 81:sc= 0.0217 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 162:sc= 0.549 (180deg=-0.625!) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 80 TYR OH : rot 18:sc= 2.09 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.6!) USER MOD Single : B 90 SER OG : rot 180:sc= -0.0535 USER MOD Single : B 97 MET CE :methyl -167:sc= 0 (180deg=-0.159) USER MOD Single : B 100 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.977) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -13.906 8.413 9.438 1.00 72.32 N ATOM 469 CA GLU A 33 -14.901 8.885 8.492 1.00 62.34 C ATOM 470 C GLU A 33 -14.605 8.399 7.083 1.00 4.14 C ATOM 471 O GLU A 33 -15.500 7.909 6.387 1.00 5.40 O ATOM 472 CB GLU A 33 -14.981 10.410 8.521 1.00 64.43 C ATOM 473 CG GLU A 33 -15.360 10.983 9.878 1.00 60.15 C ATOM 474 CD GLU A 33 -16.705 10.503 10.372 1.00 25.21 C ATOM 475 OE1 GLU A 33 -17.719 11.163 10.084 1.00 45.31 O ATOM 476 OE2 GLU A 33 -16.765 9.478 11.068 1.00 34.42 O ATOM 0 HA GLU A 33 -15.865 8.473 8.791 1.00 62.34 H new ATOM 0 HB2 GLU A 33 -14.017 10.820 8.221 1.00 64.43 H new ATOM 0 HB3 GLU A 33 -15.711 10.740 7.782 1.00 64.43 H new ATOM 0 HG2 GLU A 33 -14.595 10.712 10.606 1.00 60.15 H new ATOM 0 HG3 GLU A 33 -15.370 12.071 9.816 1.00 60.15 H new ATOM 483 N ILE A 34 -13.362 8.527 6.680 1.00 50.41 N ATOM 484 CA ILE A 34 -12.955 8.128 5.344 1.00 50.13 C ATOM 485 C ILE A 34 -12.953 6.604 5.178 1.00 31.12 C ATOM 486 O ILE A 34 -13.363 6.081 4.134 1.00 22.44 O ATOM 487 CB ILE A 34 -11.613 8.783 4.887 1.00 53.32 C ATOM 488 CG1 ILE A 34 -10.458 8.434 5.845 1.00 32.02 C ATOM 489 CG2 ILE A 34 -11.782 10.298 4.756 1.00 63.42 C ATOM 490 CD1 ILE A 34 -9.148 9.146 5.539 1.00 14.41 C ATOM 0 H ILE A 34 -12.610 8.905 7.257 1.00 50.41 H new ATOM 0 HA ILE A 34 -13.713 8.520 4.666 1.00 50.13 H new ATOM 0 HB ILE A 34 -11.353 8.377 3.909 1.00 53.32 H new ATOM 0 HG12 ILE A 34 -10.761 8.678 6.863 1.00 32.02 H new ATOM 0 HG13 ILE A 34 -10.288 7.358 5.813 1.00 32.02 H new ATOM 0 HG21 ILE A 34 -10.840 10.743 4.437 1.00 63.42 H new ATOM 0 HG22 ILE A 34 -12.554 10.516 4.018 1.00 63.42 H new ATOM 0 HG23 ILE A 34 -12.073 10.716 5.720 1.00 63.42 H new ATOM 0 HD11 ILE A 34 -8.391 8.842 6.262 1.00 14.41 H new ATOM 0 HD12 ILE A 34 -8.817 8.883 4.534 1.00 14.41 H new ATOM 0 HD13 ILE A 34 -9.297 10.224 5.601 1.00 14.41 H new ATOM 502 N ASP A 35 -12.560 5.893 6.234 1.00 73.31 N ATOM 503 CA ASP A 35 -12.497 4.432 6.211 1.00 63.10 C ATOM 504 C ASP A 35 -13.873 3.781 6.322 1.00 35.44 C ATOM 505 O ASP A 35 -14.037 2.604 6.006 1.00 43.43 O ATOM 506 CB ASP A 35 -11.490 3.834 7.222 1.00 75.04 C ATOM 507 CG ASP A 35 -10.023 4.093 6.854 1.00 2.43 C ATOM 508 OD1 ASP A 35 -9.537 3.523 5.890 1.00 32.04 O ATOM 509 OD2 ASP A 35 -9.336 4.860 7.540 1.00 35.24 O ATOM 0 H ASP A 35 -12.279 6.309 7.122 1.00 73.31 H new ATOM 0 HA ASP A 35 -12.106 4.185 5.224 1.00 63.10 H new ATOM 0 HB2 ASP A 35 -11.687 4.252 8.209 1.00 75.04 H new ATOM 0 HB3 ASP A 35 -11.654 2.759 7.292 1.00 75.04 H new ATOM 514 N LYS A 36 -14.863 4.528 6.806 1.00 0.21 N ATOM 515 CA LYS A 36 -16.260 4.020 6.847 1.00 15.44 C ATOM 516 C LYS A 36 -16.798 3.852 5.448 1.00 65.13 C ATOM 517 O LYS A 36 -17.684 3.042 5.198 1.00 15.44 O ATOM 518 CB LYS A 36 -17.198 4.969 7.590 1.00 30.41 C ATOM 519 CG LYS A 36 -16.980 5.062 9.064 1.00 2.33 C ATOM 520 CD LYS A 36 -17.852 6.140 9.645 1.00 40.22 C ATOM 521 CE LYS A 36 -17.611 6.302 11.118 1.00 70.34 C ATOM 522 NZ LYS A 36 -18.414 7.401 11.679 1.00 4.32 N ATOM 0 H LYS A 36 -14.743 5.472 7.173 1.00 0.21 H new ATOM 0 HA LYS A 36 -16.225 3.066 7.372 1.00 15.44 H new ATOM 0 HB2 LYS A 36 -17.093 5.966 7.161 1.00 30.41 H new ATOM 0 HB3 LYS A 36 -18.225 4.651 7.411 1.00 30.41 H new ATOM 0 HG2 LYS A 36 -17.207 4.106 9.535 1.00 2.33 H new ATOM 0 HG3 LYS A 36 -15.932 5.279 9.272 1.00 2.33 H new ATOM 0 HD2 LYS A 36 -17.655 7.084 9.136 1.00 40.22 H new ATOM 0 HD3 LYS A 36 -18.900 5.896 9.470 1.00 40.22 H new ATOM 0 HE2 LYS A 36 -17.855 5.372 11.632 1.00 70.34 H new ATOM 0 HE3 LYS A 36 -16.553 6.496 11.295 1.00 70.34 H new ATOM 0 HZ1 LYS A 36 -18.302 7.421 12.713 1.00 4.32 H new ATOM 0 HZ2 LYS A 36 -18.092 8.305 11.279 1.00 4.32 H new ATOM 0 HZ3 LYS A 36 -19.416 7.255 11.443 1.00 4.32 H new ATOM 536 N ARG A 37 -16.262 4.622 4.537 1.00 1.42 N ATOM 537 CA ARG A 37 -16.708 4.608 3.172 1.00 13.15 C ATOM 538 C ARG A 37 -15.799 3.710 2.362 1.00 34.03 C ATOM 539 O ARG A 37 -15.784 3.752 1.147 1.00 62.45 O ATOM 540 CB ARG A 37 -16.639 6.009 2.631 1.00 21.12 C ATOM 541 CG ARG A 37 -17.260 7.035 3.542 1.00 1.04 C ATOM 542 CD ARG A 37 -17.196 8.399 2.935 1.00 61.54 C ATOM 543 NE ARG A 37 -15.833 8.776 2.521 1.00 72.01 N ATOM 544 CZ ARG A 37 -15.252 9.950 2.788 1.00 3.34 C ATOM 545 NH1 ARG A 37 -15.795 10.782 3.684 1.00 32.15 N ATOM 546 NH2 ARG A 37 -14.111 10.279 2.177 1.00 10.20 N ATOM 0 H ARG A 37 -15.503 5.277 4.723 1.00 1.42 H new ATOM 0 HA ARG A 37 -17.731 4.236 3.113 1.00 13.15 H new ATOM 0 HB2 ARG A 37 -15.596 6.272 2.458 1.00 21.12 H new ATOM 0 HB3 ARG A 37 -17.141 6.042 1.664 1.00 21.12 H new ATOM 0 HG2 ARG A 37 -18.298 6.770 3.740 1.00 1.04 H new ATOM 0 HG3 ARG A 37 -16.743 7.035 4.501 1.00 1.04 H new ATOM 0 HD2 ARG A 37 -17.858 8.438 2.070 1.00 61.54 H new ATOM 0 HD3 ARG A 37 -17.568 9.129 3.654 1.00 61.54 H new ATOM 0 HE ARG A 37 -15.293 8.091 1.992 1.00 72.01 H new ATOM 0 HH11 ARG A 37 -16.655 10.521 4.166 1.00 32.15 H new ATOM 0 HH12 ARG A 37 -15.349 11.677 3.885 1.00 32.15 H new ATOM 0 HH21 ARG A 37 -13.686 9.635 1.509 1.00 10.20 H new ATOM 0 HH22 ARG A 37 -13.665 11.174 2.378 1.00 10.20 H new ATOM 560 N SER A 38 -15.051 2.907 3.049 1.00 62.44 N ATOM 561 CA SER A 38 -14.141 2.011 2.430 1.00 11.32 C ATOM 562 C SER A 38 -14.696 0.596 2.443 1.00 51.51 C ATOM 563 O SER A 38 -15.598 0.264 3.232 1.00 1.53 O ATOM 564 CB SER A 38 -12.853 2.049 3.191 1.00 40.51 C ATOM 565 OG SER A 38 -12.423 3.374 3.355 1.00 45.23 O ATOM 0 H SER A 38 -15.059 2.858 4.068 1.00 62.44 H new ATOM 0 HA SER A 38 -13.983 2.309 1.394 1.00 11.32 H new ATOM 0 HB2 SER A 38 -12.985 1.579 4.166 1.00 40.51 H new ATOM 0 HB3 SER A 38 -12.092 1.476 2.661 1.00 40.51 H new ATOM 0 HG SER A 38 -12.961 3.965 2.788 1.00 45.23 H new ATOM 571 N VAL A 39 -14.133 -0.229 1.624 1.00 31.41 N ATOM 572 CA VAL A 39 -14.541 -1.598 1.508 1.00 11.31 C ATOM 573 C VAL A 39 -13.344 -2.491 1.558 1.00 2.22 C ATOM 574 O VAL A 39 -12.212 -2.040 1.390 1.00 43.11 O ATOM 575 CB VAL A 39 -15.346 -1.906 0.205 1.00 14.43 C ATOM 576 CG1 VAL A 39 -16.653 -1.145 0.165 1.00 23.23 C ATOM 577 CG2 VAL A 39 -14.520 -1.610 -1.034 1.00 73.34 C ATOM 0 H VAL A 39 -13.364 0.029 1.005 1.00 31.41 H new ATOM 0 HA VAL A 39 -15.208 -1.786 2.349 1.00 11.31 H new ATOM 0 HB VAL A 39 -15.579 -2.971 0.215 1.00 14.43 H new ATOM 0 HG11 VAL A 39 -17.185 -1.384 -0.756 1.00 23.23 H new ATOM 0 HG12 VAL A 39 -17.265 -1.427 1.022 1.00 23.23 H new ATOM 0 HG13 VAL A 39 -16.452 -0.074 0.200 1.00 23.23 H new ATOM 0 HG21 VAL A 39 -15.107 -1.834 -1.925 1.00 73.34 H new ATOM 0 HG22 VAL A 39 -14.238 -0.557 -1.041 1.00 73.34 H new ATOM 0 HG23 VAL A 39 -13.621 -2.226 -1.028 1.00 73.34 H new ATOM 587 N TYR A 40 -13.595 -3.718 1.780 1.00 43.13 N ATOM 588 CA TYR A 40 -12.615 -4.732 1.768 1.00 62.44 C ATOM 589 C TYR A 40 -12.873 -5.588 0.577 1.00 3.12 C ATOM 590 O TYR A 40 -13.992 -6.059 0.376 1.00 24.32 O ATOM 591 CB TYR A 40 -12.664 -5.587 3.041 1.00 3.20 C ATOM 592 CG TYR A 40 -11.969 -6.933 2.879 1.00 24.34 C ATOM 593 CD1 TYR A 40 -10.601 -7.062 2.959 1.00 61.33 C ATOM 594 CD2 TYR A 40 -12.718 -8.072 2.611 1.00 31.41 C ATOM 595 CE1 TYR A 40 -10.007 -8.286 2.784 1.00 73.11 C ATOM 596 CE2 TYR A 40 -12.147 -9.292 2.437 1.00 51.13 C ATOM 597 CZ TYR A 40 -10.788 -9.402 2.527 1.00 52.34 C ATOM 598 OH TYR A 40 -10.188 -10.628 2.354 1.00 24.11 O ATOM 0 H TYR A 40 -14.533 -4.063 1.985 1.00 43.13 H new ATOM 0 HA TYR A 40 -11.625 -4.278 1.726 1.00 62.44 H new ATOM 0 HB2 TYR A 40 -12.197 -5.039 3.859 1.00 3.20 H new ATOM 0 HB3 TYR A 40 -13.704 -5.752 3.322 1.00 3.20 H new ATOM 0 HD1 TYR A 40 -9.991 -6.194 3.161 1.00 61.33 H new ATOM 0 HD2 TYR A 40 -13.792 -7.984 2.538 1.00 31.41 H new ATOM 0 HE1 TYR A 40 -8.933 -8.380 2.846 1.00 73.11 H new ATOM 0 HE2 TYR A 40 -12.756 -10.160 2.231 1.00 51.13 H new ATOM 0 HH TYR A 40 -10.874 -11.307 2.183 1.00 24.11 H new ATOM 608 N VAL A 41 -11.883 -5.752 -0.215 1.00 31.10 N ATOM 609 CA VAL A 41 -11.945 -6.584 -1.352 1.00 13.11 C ATOM 610 C VAL A 41 -10.964 -7.718 -1.148 1.00 11.24 C ATOM 611 O VAL A 41 -9.754 -7.497 -1.095 1.00 12.04 O ATOM 612 CB VAL A 41 -11.542 -5.791 -2.605 1.00 10.33 C ATOM 613 CG1 VAL A 41 -11.642 -6.647 -3.863 1.00 3.12 C ATOM 614 CG2 VAL A 41 -12.390 -4.543 -2.733 1.00 53.10 C ATOM 0 H VAL A 41 -10.980 -5.297 -0.085 1.00 31.10 H new ATOM 0 HA VAL A 41 -12.958 -6.963 -1.485 1.00 13.11 H new ATOM 0 HB VAL A 41 -10.499 -5.494 -2.494 1.00 10.33 H new ATOM 0 HG11 VAL A 41 -11.350 -6.055 -4.730 1.00 3.12 H new ATOM 0 HG12 VAL A 41 -10.979 -7.507 -3.771 1.00 3.12 H new ATOM 0 HG13 VAL A 41 -12.669 -6.991 -3.988 1.00 3.12 H new ATOM 0 HG21 VAL A 41 -12.093 -3.991 -3.625 1.00 53.10 H new ATOM 0 HG22 VAL A 41 -13.440 -4.823 -2.812 1.00 53.10 H new ATOM 0 HG23 VAL A 41 -12.248 -3.915 -1.854 1.00 53.10 H new ATOM 624 N GLY A 42 -11.465 -8.894 -0.988 1.00 4.34 N ATOM 625 CA GLY A 42 -10.618 -10.027 -0.811 1.00 1.34 C ATOM 626 C GLY A 42 -10.600 -10.834 -2.049 1.00 32.44 C ATOM 627 O GLY A 42 -11.380 -10.551 -2.962 1.00 3.35 O ATOM 0 H GLY A 42 -12.464 -9.099 -0.976 1.00 4.34 H new ATOM 0 HA2 GLY A 42 -9.608 -9.702 -0.562 1.00 1.34 H new ATOM 0 HA3 GLY A 42 -10.973 -10.632 0.024 1.00 1.34 H new ATOM 631 N ASN A 43 -9.726 -11.838 -2.098 1.00 14.20 N ATOM 632 CA ASN A 43 -9.558 -12.722 -3.288 1.00 22.04 C ATOM 633 C ASN A 43 -8.921 -11.982 -4.486 1.00 35.45 C ATOM 634 O ASN A 43 -8.525 -12.603 -5.470 1.00 60.51 O ATOM 635 CB ASN A 43 -10.901 -13.335 -3.686 1.00 64.15 C ATOM 636 CG ASN A 43 -10.854 -14.239 -4.908 1.00 21.21 C ATOM 637 OD1 ASN A 43 -10.991 -13.787 -6.027 1.00 53.23 O ATOM 638 ND2 ASN A 43 -10.753 -15.507 -4.692 1.00 23.43 N ATOM 0 H ASN A 43 -9.107 -12.075 -1.323 1.00 14.20 H new ATOM 0 HA ASN A 43 -8.870 -13.519 -3.005 1.00 22.04 H new ATOM 0 HB2 ASN A 43 -11.287 -13.908 -2.843 1.00 64.15 H new ATOM 0 HB3 ASN A 43 -11.610 -12.529 -3.875 1.00 64.15 H new ATOM 0 HD21 ASN A 43 -10.787 -16.162 -5.473 1.00 23.43 H new ATOM 0 HD22 ASN A 43 -10.639 -15.855 -3.740 1.00 23.43 H new ATOM 645 N VAL A 44 -8.823 -10.662 -4.396 1.00 31.24 N ATOM 646 CA VAL A 44 -8.180 -9.876 -5.421 1.00 34.10 C ATOM 647 C VAL A 44 -6.696 -10.170 -5.352 1.00 53.42 C ATOM 648 O VAL A 44 -5.940 -9.570 -4.599 1.00 54.53 O ATOM 649 CB VAL A 44 -8.530 -8.344 -5.307 1.00 53.14 C ATOM 650 CG1 VAL A 44 -8.106 -7.731 -3.981 1.00 71.31 C ATOM 651 CG2 VAL A 44 -7.972 -7.563 -6.466 1.00 65.42 C ATOM 0 H VAL A 44 -9.186 -10.117 -3.614 1.00 31.24 H new ATOM 0 HA VAL A 44 -8.552 -10.154 -6.407 1.00 34.10 H new ATOM 0 HB VAL A 44 -9.618 -8.281 -5.343 1.00 53.14 H new ATOM 0 HG11 VAL A 44 -8.375 -6.675 -3.966 1.00 71.31 H new ATOM 0 HG12 VAL A 44 -8.611 -8.246 -3.164 1.00 71.31 H new ATOM 0 HG13 VAL A 44 -7.027 -7.832 -3.862 1.00 71.31 H new ATOM 0 HG21 VAL A 44 -8.233 -6.510 -6.355 1.00 65.42 H new ATOM 0 HG22 VAL A 44 -6.887 -7.668 -6.487 1.00 65.42 H new ATOM 0 HG23 VAL A 44 -8.392 -7.944 -7.397 1.00 65.42 H new ATOM 661 N ASP A 45 -6.299 -11.136 -6.121 1.00 53.45 N ATOM 662 CA ASP A 45 -5.016 -11.716 -5.974 1.00 14.04 C ATOM 663 C ASP A 45 -3.890 -10.924 -6.451 1.00 41.05 C ATOM 664 O ASP A 45 -4.047 -9.933 -7.154 1.00 61.15 O ATOM 665 CB ASP A 45 -4.909 -13.202 -6.335 1.00 23.21 C ATOM 666 CG ASP A 45 -5.366 -14.096 -5.198 1.00 31.32 C ATOM 667 OD1 ASP A 45 -4.743 -14.044 -4.106 1.00 22.25 O ATOM 668 OD2 ASP A 45 -6.329 -14.856 -5.365 1.00 31.40 O ATOM 0 H ASP A 45 -6.863 -11.540 -6.868 1.00 53.45 H new ATOM 0 HA ASP A 45 -4.912 -11.690 -4.889 1.00 14.04 H new ATOM 0 HB2 ASP A 45 -5.512 -13.405 -7.220 1.00 23.21 H new ATOM 0 HB3 ASP A 45 -3.876 -13.440 -6.591 1.00 23.21 H new ATOM 673 N TYR A 46 -2.762 -11.414 -6.055 1.00 12.33 N ATOM 674 CA TYR A 46 -1.447 -10.857 -6.211 1.00 45.05 C ATOM 675 C TYR A 46 -1.188 -10.171 -7.582 1.00 3.24 C ATOM 676 O TYR A 46 -0.462 -9.176 -7.657 1.00 32.20 O ATOM 677 CB TYR A 46 -0.470 -12.002 -6.002 1.00 73.30 C ATOM 678 CG TYR A 46 0.931 -11.579 -5.976 1.00 64.14 C ATOM 679 CD1 TYR A 46 1.485 -11.146 -4.803 1.00 30.42 C ATOM 680 CD2 TYR A 46 1.705 -11.593 -7.119 1.00 44.24 C ATOM 681 CE1 TYR A 46 2.762 -10.721 -4.750 1.00 53.40 C ATOM 682 CE2 TYR A 46 2.990 -11.179 -7.088 1.00 0.12 C ATOM 683 CZ TYR A 46 3.522 -10.738 -5.914 1.00 23.25 C ATOM 684 OH TYR A 46 4.791 -10.310 -5.904 1.00 51.42 O ATOM 0 H TYR A 46 -2.729 -12.307 -5.563 1.00 12.33 H new ATOM 0 HA TYR A 46 -1.326 -10.055 -5.483 1.00 45.05 H new ATOM 0 HB2 TYR A 46 -0.707 -12.504 -5.064 1.00 73.30 H new ATOM 0 HB3 TYR A 46 -0.605 -12.734 -6.798 1.00 73.30 H new ATOM 0 HD1 TYR A 46 0.888 -11.145 -3.903 1.00 30.42 H new ATOM 0 HD2 TYR A 46 1.278 -11.939 -8.049 1.00 44.24 H new ATOM 0 HE1 TYR A 46 3.188 -10.373 -3.820 1.00 53.40 H new ATOM 0 HE2 TYR A 46 3.590 -11.197 -7.986 1.00 0.12 H new ATOM 0 HH TYR A 46 5.001 -9.929 -5.026 1.00 51.42 H new ATOM 694 N GLY A 47 -1.770 -10.695 -8.637 1.00 65.33 N ATOM 695 CA GLY A 47 -1.525 -10.154 -9.950 1.00 61.21 C ATOM 696 C GLY A 47 -2.439 -8.997 -10.325 1.00 4.24 C ATOM 697 O GLY A 47 -2.306 -8.437 -11.420 1.00 74.32 O ATOM 0 H GLY A 47 -2.411 -11.488 -8.610 1.00 65.33 H new ATOM 0 HA2 GLY A 47 -0.490 -9.818 -10.005 1.00 61.21 H new ATOM 0 HA3 GLY A 47 -1.642 -10.949 -10.687 1.00 61.21 H new ATOM 701 N SER A 48 -3.360 -8.634 -9.450 1.00 33.03 N ATOM 702 CA SER A 48 -4.274 -7.566 -9.736 1.00 63.34 C ATOM 703 C SER A 48 -3.587 -6.211 -9.616 1.00 43.11 C ATOM 704 O SER A 48 -2.863 -5.940 -8.653 1.00 14.21 O ATOM 705 CB SER A 48 -5.461 -7.648 -8.804 1.00 13.23 C ATOM 706 OG SER A 48 -6.051 -8.940 -8.868 1.00 60.21 O ATOM 0 H SER A 48 -3.487 -9.070 -8.537 1.00 33.03 H new ATOM 0 HA SER A 48 -4.622 -7.670 -10.764 1.00 63.34 H new ATOM 0 HB2 SER A 48 -5.145 -7.435 -7.783 1.00 13.23 H new ATOM 0 HB3 SER A 48 -6.197 -6.891 -9.074 1.00 13.23 H new ATOM 0 HG SER A 48 -5.530 -9.565 -8.322 1.00 60.21 H new ATOM 712 N THR A 49 -3.807 -5.382 -10.592 1.00 74.13 N ATOM 713 CA THR A 49 -3.239 -4.080 -10.627 1.00 4.40 C ATOM 714 C THR A 49 -4.173 -3.061 -10.001 1.00 43.14 C ATOM 715 O THR A 49 -5.364 -3.271 -9.990 1.00 74.11 O ATOM 716 CB THR A 49 -2.978 -3.683 -12.064 1.00 60.32 C ATOM 717 OG1 THR A 49 -4.127 -4.013 -12.866 1.00 52.10 O ATOM 718 CG2 THR A 49 -1.739 -4.338 -12.633 1.00 55.30 C ATOM 0 H THR A 49 -4.396 -5.600 -11.396 1.00 74.13 H new ATOM 0 HA THR A 49 -2.308 -4.099 -10.061 1.00 4.40 H new ATOM 0 HB THR A 49 -2.802 -2.608 -12.083 1.00 60.32 H new ATOM 0 HG1 THR A 49 -3.961 -3.755 -13.797 1.00 52.10 H new ATOM 0 HG21 THR A 49 -1.600 -4.018 -13.666 1.00 55.30 H new ATOM 0 HG22 THR A 49 -0.870 -4.047 -12.043 1.00 55.30 H new ATOM 0 HG23 THR A 49 -1.853 -5.422 -12.601 1.00 55.30 H new ATOM 726 N ALA A 50 -3.625 -1.939 -9.514 1.00 21.44 N ATOM 727 CA ALA A 50 -4.412 -0.891 -8.885 1.00 55.43 C ATOM 728 C ALA A 50 -5.358 -0.234 -9.901 1.00 71.42 C ATOM 729 O ALA A 50 -6.533 -0.088 -9.643 1.00 63.54 O ATOM 730 CB ALA A 50 -3.459 0.141 -8.275 1.00 33.23 C ATOM 0 H ALA A 50 -2.625 -1.741 -9.549 1.00 21.44 H new ATOM 0 HA ALA A 50 -5.031 -1.322 -8.098 1.00 55.43 H new ATOM 0 HB1 ALA A 50 -4.037 0.933 -7.799 1.00 33.23 H new ATOM 0 HB2 ALA A 50 -2.826 -0.343 -7.531 1.00 33.23 H new ATOM 0 HB3 ALA A 50 -2.835 0.568 -9.060 1.00 33.23 H new ATOM 736 N GLN A 51 -4.820 0.120 -11.060 1.00 63.01 N ATOM 737 CA GLN A 51 -5.580 0.764 -12.148 1.00 21.40 C ATOM 738 C GLN A 51 -6.791 -0.072 -12.596 1.00 61.32 C ATOM 739 O GLN A 51 -7.927 0.433 -12.617 1.00 14.33 O ATOM 740 CB GLN A 51 -4.623 0.986 -13.328 1.00 41.42 C ATOM 741 CG GLN A 51 -5.228 1.611 -14.562 1.00 10.21 C ATOM 742 CD GLN A 51 -4.214 1.712 -15.688 1.00 61.24 C ATOM 743 OE1 GLN A 51 -3.019 1.880 -15.456 1.00 43.04 O ATOM 744 NE2 GLN A 51 -4.658 1.542 -16.891 1.00 22.21 N ATOM 0 H GLN A 51 -3.836 -0.029 -11.284 1.00 63.01 H new ATOM 0 HA GLN A 51 -5.978 1.711 -11.783 1.00 21.40 H new ATOM 0 HB2 GLN A 51 -3.802 1.618 -12.990 1.00 41.42 H new ATOM 0 HB3 GLN A 51 -4.192 0.024 -13.606 1.00 41.42 H new ATOM 0 HG2 GLN A 51 -6.081 1.017 -14.891 1.00 10.21 H new ATOM 0 HG3 GLN A 51 -5.605 2.605 -14.320 1.00 10.21 H new ATOM 0 HE21 GLN A 51 -5.656 1.405 -17.052 1.00 22.21 H new ATOM 0 HE22 GLN A 51 -4.010 1.545 -17.679 1.00 22.21 H new ATOM 753 N ASP A 52 -6.551 -1.324 -12.931 1.00 32.45 N ATOM 754 CA ASP A 52 -7.621 -2.239 -13.371 1.00 3.35 C ATOM 755 C ASP A 52 -8.651 -2.461 -12.267 1.00 55.42 C ATOM 756 O ASP A 52 -9.874 -2.523 -12.520 1.00 14.22 O ATOM 757 CB ASP A 52 -7.022 -3.576 -13.813 1.00 53.01 C ATOM 758 CG ASP A 52 -8.053 -4.617 -14.180 1.00 55.51 C ATOM 759 OD1 ASP A 52 -8.645 -4.526 -15.269 1.00 4.23 O ATOM 760 OD2 ASP A 52 -8.270 -5.550 -13.387 1.00 54.44 O ATOM 0 H ASP A 52 -5.623 -1.746 -12.911 1.00 32.45 H new ATOM 0 HA ASP A 52 -8.131 -1.779 -14.217 1.00 3.35 H new ATOM 0 HB2 ASP A 52 -6.371 -3.406 -14.670 1.00 53.01 H new ATOM 0 HB3 ASP A 52 -6.396 -3.966 -13.010 1.00 53.01 H new ATOM 765 N LEU A 53 -8.156 -2.515 -11.059 1.00 71.04 N ATOM 766 CA LEU A 53 -8.952 -2.792 -9.889 1.00 44.32 C ATOM 767 C LEU A 53 -9.826 -1.560 -9.590 1.00 74.32 C ATOM 768 O LEU A 53 -11.041 -1.682 -9.362 1.00 14.40 O ATOM 769 CB LEU A 53 -7.969 -3.051 -8.745 1.00 62.43 C ATOM 770 CG LEU A 53 -8.400 -3.832 -7.512 1.00 15.51 C ATOM 771 CD1 LEU A 53 -7.207 -3.938 -6.580 1.00 42.31 C ATOM 772 CD2 LEU A 53 -9.581 -3.196 -6.808 1.00 10.04 C ATOM 0 H LEU A 53 -7.168 -2.365 -10.855 1.00 71.04 H new ATOM 0 HA LEU A 53 -9.607 -3.652 -10.025 1.00 44.32 H new ATOM 0 HB2 LEU A 53 -7.111 -3.572 -9.171 1.00 62.43 H new ATOM 0 HB3 LEU A 53 -7.614 -2.080 -8.401 1.00 62.43 H new ATOM 0 HG LEU A 53 -8.733 -4.823 -7.820 1.00 15.51 H new ATOM 0 HD11 LEU A 53 -7.491 -4.495 -5.687 1.00 42.31 H new ATOM 0 HD12 LEU A 53 -6.394 -4.457 -7.088 1.00 42.31 H new ATOM 0 HD13 LEU A 53 -6.878 -2.939 -6.295 1.00 42.31 H new ATOM 0 HD21 LEU A 53 -9.849 -3.792 -5.935 1.00 10.04 H new ATOM 0 HD22 LEU A 53 -9.316 -2.187 -6.491 1.00 10.04 H new ATOM 0 HD23 LEU A 53 -10.430 -3.150 -7.490 1.00 10.04 H new ATOM 784 N GLU A 54 -9.205 -0.374 -9.622 1.00 74.10 N ATOM 785 CA GLU A 54 -9.882 0.895 -9.384 1.00 65.33 C ATOM 786 C GLU A 54 -11.010 1.099 -10.364 1.00 34.50 C ATOM 787 O GLU A 54 -12.105 1.413 -9.965 1.00 74.12 O ATOM 788 CB GLU A 54 -8.870 2.038 -9.565 1.00 32.51 C ATOM 789 CG GLU A 54 -9.436 3.437 -9.356 1.00 40.30 C ATOM 790 CD GLU A 54 -8.466 4.538 -9.709 1.00 54.24 C ATOM 791 OE1 GLU A 54 -8.436 4.960 -10.893 1.00 63.14 O ATOM 792 OE2 GLU A 54 -7.738 5.021 -8.839 1.00 73.14 O ATOM 0 H GLU A 54 -8.209 -0.274 -9.816 1.00 74.10 H new ATOM 0 HA GLU A 54 -10.289 0.886 -8.373 1.00 65.33 H new ATOM 0 HB2 GLU A 54 -8.046 1.888 -8.868 1.00 32.51 H new ATOM 0 HB3 GLU A 54 -8.452 1.978 -10.570 1.00 32.51 H new ATOM 0 HG2 GLU A 54 -10.337 3.550 -9.960 1.00 40.30 H new ATOM 0 HG3 GLU A 54 -9.735 3.547 -8.314 1.00 40.30 H new ATOM 799 N ALA A 55 -10.736 0.888 -11.644 1.00 4.24 N ATOM 800 CA ALA A 55 -11.750 1.052 -12.689 1.00 41.32 C ATOM 801 C ALA A 55 -12.971 0.183 -12.399 1.00 45.54 C ATOM 802 O ALA A 55 -14.139 0.623 -12.560 1.00 24.33 O ATOM 803 CB ALA A 55 -11.167 0.704 -14.047 1.00 0.22 C ATOM 0 H ALA A 55 -9.820 0.602 -11.989 1.00 4.24 H new ATOM 0 HA ALA A 55 -12.066 2.095 -12.699 1.00 41.32 H new ATOM 0 HB1 ALA A 55 -11.931 0.830 -14.814 1.00 0.22 H new ATOM 0 HB2 ALA A 55 -10.325 1.363 -14.261 1.00 0.22 H new ATOM 0 HB3 ALA A 55 -10.825 -0.331 -14.042 1.00 0.22 H new ATOM 809 N HIS A 56 -12.704 -1.009 -11.890 1.00 13.11 N ATOM 810 CA HIS A 56 -13.755 -1.967 -11.608 1.00 14.30 C ATOM 811 C HIS A 56 -14.674 -1.435 -10.490 1.00 13.12 C ATOM 812 O HIS A 56 -15.888 -1.592 -10.546 1.00 42.13 O ATOM 813 CB HIS A 56 -13.157 -3.341 -11.242 1.00 61.33 C ATOM 814 CG HIS A 56 -14.166 -4.454 -11.126 1.00 3.21 C ATOM 815 ND1 HIS A 56 -14.381 -5.375 -12.125 1.00 74.33 N ATOM 816 CD2 HIS A 56 -15.001 -4.799 -10.123 1.00 33.12 C ATOM 817 CE1 HIS A 56 -15.300 -6.230 -11.746 1.00 75.04 C ATOM 818 NE2 HIS A 56 -15.698 -5.907 -10.530 1.00 10.02 N ATOM 0 H HIS A 56 -11.764 -1.335 -11.664 1.00 13.11 H new ATOM 0 HA HIS A 56 -14.359 -2.101 -12.505 1.00 14.30 H new ATOM 0 HB2 HIS A 56 -12.420 -3.614 -11.997 1.00 61.33 H new ATOM 0 HB3 HIS A 56 -12.625 -3.250 -10.295 1.00 61.33 H new ATOM 0 HD2 HIS A 56 -15.102 -4.294 -9.173 1.00 33.12 H new ATOM 0 HE1 HIS A 56 -15.669 -7.059 -12.331 1.00 75.04 H new ATOM 0 HE2 HIS A 56 -16.406 -6.399 -9.984 1.00 10.02 H new ATOM 827 N PHE A 57 -14.082 -0.816 -9.484 1.00 3.33 N ATOM 828 CA PHE A 57 -14.834 -0.212 -8.393 1.00 61.15 C ATOM 829 C PHE A 57 -15.347 1.170 -8.702 1.00 13.11 C ATOM 830 O PHE A 57 -16.280 1.646 -8.069 1.00 74.21 O ATOM 831 CB PHE A 57 -14.137 -0.292 -7.058 1.00 23.15 C ATOM 832 CG PHE A 57 -14.239 -1.649 -6.464 1.00 32.24 C ATOM 833 CD1 PHE A 57 -15.409 -2.037 -5.854 1.00 33.25 C ATOM 834 CD2 PHE A 57 -13.197 -2.537 -6.518 1.00 5.43 C ATOM 835 CE1 PHE A 57 -15.533 -3.288 -5.307 1.00 4.11 C ATOM 836 CE2 PHE A 57 -13.316 -3.789 -5.972 1.00 42.33 C ATOM 837 CZ PHE A 57 -14.486 -4.160 -5.369 1.00 44.03 C ATOM 0 H PHE A 57 -13.070 -0.717 -9.398 1.00 3.33 H new ATOM 0 HA PHE A 57 -15.721 -0.838 -8.297 1.00 61.15 H new ATOM 0 HB2 PHE A 57 -13.087 -0.026 -7.180 1.00 23.15 H new ATOM 0 HB3 PHE A 57 -14.573 0.437 -6.376 1.00 23.15 H new ATOM 0 HD1 PHE A 57 -16.240 -1.348 -5.805 1.00 33.25 H new ATOM 0 HD2 PHE A 57 -12.272 -2.248 -6.996 1.00 5.43 H new ATOM 0 HE1 PHE A 57 -16.456 -3.582 -4.829 1.00 4.11 H new ATOM 0 HE2 PHE A 57 -12.488 -4.481 -6.018 1.00 42.33 H new ATOM 0 HZ PHE A 57 -14.581 -5.147 -4.940 1.00 44.03 H new ATOM 847 N SER A 58 -14.721 1.811 -9.666 1.00 65.02 N ATOM 848 CA SER A 58 -15.059 3.158 -10.076 1.00 1.52 C ATOM 849 C SER A 58 -16.502 3.181 -10.560 1.00 72.14 C ATOM 850 O SER A 58 -17.226 4.167 -10.369 1.00 11.51 O ATOM 851 CB SER A 58 -14.087 3.642 -11.175 1.00 15.35 C ATOM 852 OG SER A 58 -14.376 4.967 -11.603 1.00 72.55 O ATOM 0 H SER A 58 -13.950 1.404 -10.196 1.00 65.02 H new ATOM 0 HA SER A 58 -14.962 3.840 -9.231 1.00 1.52 H new ATOM 0 HB2 SER A 58 -13.065 3.599 -10.798 1.00 15.35 H new ATOM 0 HB3 SER A 58 -14.141 2.966 -12.029 1.00 15.35 H new ATOM 0 HG SER A 58 -13.737 5.233 -12.297 1.00 72.55 H new ATOM 858 N SER A 59 -16.923 2.083 -11.169 1.00 22.40 N ATOM 859 CA SER A 59 -18.302 1.907 -11.577 1.00 53.03 C ATOM 860 C SER A 59 -19.284 1.999 -10.362 1.00 31.13 C ATOM 861 O SER A 59 -20.441 2.379 -10.512 1.00 45.41 O ATOM 862 CB SER A 59 -18.432 0.544 -12.251 1.00 63.01 C ATOM 863 OG SER A 59 -17.513 0.427 -13.336 1.00 35.41 O ATOM 0 H SER A 59 -16.318 1.293 -11.392 1.00 22.40 H new ATOM 0 HA SER A 59 -18.570 2.706 -12.268 1.00 53.03 H new ATOM 0 HB2 SER A 59 -18.246 -0.246 -11.523 1.00 63.01 H new ATOM 0 HB3 SER A 59 -19.451 0.409 -12.615 1.00 63.01 H new ATOM 0 HG SER A 59 -17.611 -0.454 -13.754 1.00 35.41 H new ATOM 869 N CYS A 60 -18.802 1.651 -9.175 1.00 24.14 N ATOM 870 CA CYS A 60 -19.619 1.660 -7.960 1.00 12.34 C ATOM 871 C CYS A 60 -19.547 2.994 -7.183 1.00 31.04 C ATOM 872 O CYS A 60 -20.225 3.153 -6.162 1.00 53.53 O ATOM 873 CB CYS A 60 -19.190 0.506 -7.053 1.00 63.51 C ATOM 874 SG CYS A 60 -19.316 -1.121 -7.829 1.00 73.03 S ATOM 0 H CYS A 60 -17.838 1.355 -9.024 1.00 24.14 H new ATOM 0 HA CYS A 60 -20.657 1.540 -8.272 1.00 12.34 H new ATOM 0 HB2 CYS A 60 -18.159 0.668 -6.738 1.00 63.51 H new ATOM 0 HB3 CYS A 60 -19.804 0.517 -6.153 1.00 63.51 H new ATOM 0 HG CYS A 60 -19.959 -1.929 -7.040 1.00 73.03 H new ATOM 880 N GLY A 61 -18.772 3.945 -7.667 1.00 71.23 N ATOM 881 CA GLY A 61 -18.663 5.200 -6.943 1.00 42.34 C ATOM 882 C GLY A 61 -17.343 5.910 -7.114 1.00 74.10 C ATOM 883 O GLY A 61 -16.506 5.524 -7.940 1.00 65.42 O ATOM 0 H GLY A 61 -18.226 3.881 -8.526 1.00 71.23 H new ATOM 0 HA2 GLY A 61 -19.463 5.864 -7.270 1.00 42.34 H new ATOM 0 HA3 GLY A 61 -18.823 5.008 -5.882 1.00 42.34 H new ATOM 887 N SER A 62 -17.142 6.934 -6.314 1.00 51.34 N ATOM 888 CA SER A 62 -15.976 7.781 -6.392 1.00 64.44 C ATOM 889 C SER A 62 -14.897 7.302 -5.409 1.00 62.52 C ATOM 890 O SER A 62 -15.108 7.294 -4.196 1.00 13.40 O ATOM 891 CB SER A 62 -16.397 9.219 -6.069 1.00 71.01 C ATOM 892 OG SER A 62 -17.464 9.635 -6.927 1.00 34.54 O ATOM 0 H SER A 62 -17.796 7.204 -5.579 1.00 51.34 H new ATOM 0 HA SER A 62 -15.554 7.737 -7.396 1.00 64.44 H new ATOM 0 HB2 SER A 62 -16.713 9.286 -5.028 1.00 71.01 H new ATOM 0 HB3 SER A 62 -15.545 9.889 -6.188 1.00 71.01 H new ATOM 0 HG SER A 62 -17.722 10.554 -6.706 1.00 34.54 H new ATOM 898 N ILE A 63 -13.772 6.894 -5.941 1.00 15.41 N ATOM 899 CA ILE A 63 -12.671 6.370 -5.156 1.00 74.15 C ATOM 900 C ILE A 63 -11.706 7.468 -4.700 1.00 71.23 C ATOM 901 O ILE A 63 -11.272 8.303 -5.500 1.00 64.25 O ATOM 902 CB ILE A 63 -11.917 5.273 -5.958 1.00 53.45 C ATOM 903 CG1 ILE A 63 -12.857 4.089 -6.201 1.00 35.35 C ATOM 904 CG2 ILE A 63 -10.659 4.816 -5.225 1.00 51.44 C ATOM 905 CD1 ILE A 63 -12.283 2.997 -7.064 1.00 53.23 C ATOM 0 H ILE A 63 -13.588 6.915 -6.944 1.00 15.41 H new ATOM 0 HA ILE A 63 -13.094 5.928 -4.254 1.00 74.15 H new ATOM 0 HB ILE A 63 -11.603 5.692 -6.914 1.00 53.45 H new ATOM 0 HG12 ILE A 63 -13.138 3.662 -5.238 1.00 35.35 H new ATOM 0 HG13 ILE A 63 -13.771 4.458 -6.666 1.00 35.35 H new ATOM 0 HG21 ILE A 63 -10.154 4.049 -5.812 1.00 51.44 H new ATOM 0 HG22 ILE A 63 -9.990 5.665 -5.086 1.00 51.44 H new ATOM 0 HG23 ILE A 63 -10.933 4.407 -4.252 1.00 51.44 H new ATOM 0 HD11 ILE A 63 -13.019 2.201 -7.181 1.00 53.23 H new ATOM 0 HD12 ILE A 63 -12.028 3.403 -8.043 1.00 53.23 H new ATOM 0 HD13 ILE A 63 -11.386 2.595 -6.593 1.00 53.23 H new ATOM 917 N ASN A 64 -11.401 7.466 -3.407 1.00 41.01 N ATOM 918 CA ASN A 64 -10.454 8.418 -2.828 1.00 71.43 C ATOM 919 C ASN A 64 -9.092 7.792 -2.654 1.00 31.52 C ATOM 920 O ASN A 64 -8.075 8.430 -2.901 1.00 21.12 O ATOM 921 CB ASN A 64 -10.905 8.968 -1.459 1.00 61.10 C ATOM 922 CG ASN A 64 -12.190 9.773 -1.465 1.00 52.32 C ATOM 923 OD1 ASN A 64 -12.870 9.861 -0.444 1.00 63.11 O ATOM 924 ND2 ASN A 64 -12.544 10.346 -2.583 1.00 63.03 N ATOM 0 H ASN A 64 -11.798 6.811 -2.734 1.00 41.01 H new ATOM 0 HA ASN A 64 -10.410 9.246 -3.536 1.00 71.43 H new ATOM 0 HB2 ASN A 64 -11.026 8.129 -0.773 1.00 61.10 H new ATOM 0 HB3 ASN A 64 -10.107 9.594 -1.059 1.00 61.10 H new ATOM 0 HD21 ASN A 64 -13.408 10.887 -2.628 1.00 63.03 H new ATOM 0 HD22 ASN A 64 -11.957 10.253 -3.412 1.00 63.03 H new ATOM 931 N ARG A 65 -9.066 6.544 -2.225 1.00 23.34 N ATOM 932 CA ARG A 65 -7.806 5.855 -1.959 1.00 43.33 C ATOM 933 C ARG A 65 -8.021 4.387 -2.204 1.00 11.45 C ATOM 934 O ARG A 65 -9.155 3.930 -2.218 1.00 22.33 O ATOM 935 CB ARG A 65 -7.338 6.007 -0.476 1.00 73.31 C ATOM 936 CG ARG A 65 -7.411 7.406 0.131 1.00 54.31 C ATOM 937 CD ARG A 65 -6.816 7.425 1.539 1.00 32.24 C ATOM 938 NE ARG A 65 -5.349 7.257 1.549 1.00 52.44 N ATOM 939 CZ ARG A 65 -4.639 6.740 2.568 1.00 64.21 C ATOM 940 NH1 ARG A 65 -5.258 6.134 3.582 1.00 33.22 N ATOM 941 NH2 ARG A 65 -3.313 6.800 2.560 1.00 52.14 N ATOM 0 H ARG A 65 -9.900 5.982 -2.052 1.00 23.34 H new ATOM 0 HA ARG A 65 -7.047 6.292 -2.608 1.00 43.33 H new ATOM 0 HB2 ARG A 65 -7.939 5.338 0.140 1.00 73.31 H new ATOM 0 HB3 ARG A 65 -6.306 5.661 -0.409 1.00 73.31 H new ATOM 0 HG2 ARG A 65 -6.874 8.110 -0.504 1.00 54.31 H new ATOM 0 HG3 ARG A 65 -8.449 7.737 0.167 1.00 54.31 H new ATOM 0 HD2 ARG A 65 -7.071 8.368 2.022 1.00 32.24 H new ATOM 0 HD3 ARG A 65 -7.271 6.630 2.130 1.00 32.24 H new ATOM 0 HE ARG A 65 -4.835 7.556 0.720 1.00 52.44 H new ATOM 0 HH11 ARG A 65 -6.275 6.060 3.588 1.00 33.22 H new ATOM 0 HH12 ARG A 65 -4.714 5.744 4.352 1.00 33.22 H new ATOM 0 HH21 ARG A 65 -2.827 7.240 1.778 1.00 52.14 H new ATOM 0 HH22 ARG A 65 -2.780 6.406 3.335 1.00 52.14 H new ATOM 955 N ILE A 66 -6.957 3.662 -2.395 1.00 52.14 N ATOM 956 CA ILE A 66 -7.010 2.222 -2.503 1.00 3.43 C ATOM 957 C ILE A 66 -5.755 1.677 -1.873 1.00 43.41 C ATOM 958 O ILE A 66 -4.666 2.240 -2.043 1.00 3.51 O ATOM 959 CB ILE A 66 -7.167 1.651 -3.974 1.00 74.32 C ATOM 960 CG1 ILE A 66 -5.974 1.994 -4.844 1.00 33.30 C ATOM 961 CG2 ILE A 66 -8.447 2.132 -4.629 1.00 23.30 C ATOM 962 CD1 ILE A 66 -6.076 1.494 -6.262 1.00 50.40 C ATOM 0 H ILE A 66 -6.018 4.051 -2.482 1.00 52.14 H new ATOM 0 HA ILE A 66 -7.917 1.899 -1.992 1.00 3.43 H new ATOM 0 HB ILE A 66 -7.217 0.566 -3.880 1.00 74.32 H new ATOM 0 HG12 ILE A 66 -5.851 3.077 -4.861 1.00 33.30 H new ATOM 0 HG13 ILE A 66 -5.075 1.578 -4.388 1.00 33.30 H new ATOM 0 HG21 ILE A 66 -8.518 1.719 -5.635 1.00 23.30 H new ATOM 0 HG22 ILE A 66 -9.303 1.802 -4.040 1.00 23.30 H new ATOM 0 HG23 ILE A 66 -8.441 3.221 -4.683 1.00 23.30 H new ATOM 0 HD11 ILE A 66 -5.182 1.782 -6.815 1.00 50.40 H new ATOM 0 HD12 ILE A 66 -6.166 0.408 -6.259 1.00 50.40 H new ATOM 0 HD13 ILE A 66 -6.954 1.930 -6.739 1.00 50.40 H new ATOM 974 N THR A 67 -5.897 0.644 -1.138 1.00 41.41 N ATOM 975 CA THR A 67 -4.798 0.037 -0.465 1.00 20.01 C ATOM 976 C THR A 67 -4.772 -1.421 -0.856 1.00 2.32 C ATOM 977 O THR A 67 -5.729 -2.122 -0.621 1.00 64.05 O ATOM 978 CB THR A 67 -4.968 0.171 1.063 1.00 61.23 C ATOM 979 OG1 THR A 67 -5.137 1.558 1.407 1.00 12.04 O ATOM 980 CG2 THR A 67 -3.756 -0.393 1.798 1.00 42.22 C ATOM 0 H THR A 67 -6.792 0.181 -0.978 1.00 41.41 H new ATOM 0 HA THR A 67 -3.865 0.526 -0.744 1.00 20.01 H new ATOM 0 HB THR A 67 -5.849 -0.397 1.364 1.00 61.23 H new ATOM 0 HG1 THR A 67 -6.077 1.811 1.295 1.00 12.04 H new ATOM 0 HG21 THR A 67 -3.901 -0.287 2.873 1.00 42.22 H new ATOM 0 HG22 THR A 67 -3.639 -1.448 1.550 1.00 42.22 H new ATOM 0 HG23 THR A 67 -2.862 0.152 1.496 1.00 42.22 H new ATOM 988 N ILE A 68 -3.701 -1.877 -1.436 1.00 71.13 N ATOM 989 CA ILE A 68 -3.637 -3.244 -1.884 1.00 71.13 C ATOM 990 C ILE A 68 -2.521 -3.887 -1.111 1.00 74.23 C ATOM 991 O ILE A 68 -1.395 -3.427 -1.181 1.00 2.52 O ATOM 992 CB ILE A 68 -3.298 -3.395 -3.411 1.00 74.22 C ATOM 993 CG1 ILE A 68 -4.069 -2.403 -4.316 1.00 21.52 C ATOM 994 CG2 ILE A 68 -3.520 -4.830 -3.880 1.00 62.42 C ATOM 995 CD1 ILE A 68 -3.369 -1.069 -4.457 1.00 71.10 C ATOM 0 H ILE A 68 -2.860 -1.327 -1.611 1.00 71.13 H new ATOM 0 HA ILE A 68 -4.615 -3.699 -1.728 1.00 71.13 H new ATOM 0 HB ILE A 68 -2.242 -3.145 -3.509 1.00 74.22 H new ATOM 0 HG12 ILE A 68 -4.199 -2.846 -5.304 1.00 21.52 H new ATOM 0 HG13 ILE A 68 -5.066 -2.243 -3.905 1.00 21.52 H new ATOM 0 HG21 ILE A 68 -3.278 -4.908 -4.940 1.00 62.42 H new ATOM 0 HG22 ILE A 68 -2.878 -5.502 -3.311 1.00 62.42 H new ATOM 0 HG23 ILE A 68 -4.563 -5.106 -3.724 1.00 62.42 H new ATOM 0 HD11 ILE A 68 -3.957 -0.416 -5.102 1.00 71.10 H new ATOM 0 HD12 ILE A 68 -3.263 -0.608 -3.475 1.00 71.10 H new ATOM 0 HD13 ILE A 68 -2.383 -1.220 -4.895 1.00 71.10 H new ATOM 1007 N LEU A 69 -2.812 -4.876 -0.344 1.00 0.04 N ATOM 1008 CA LEU A 69 -1.777 -5.542 0.407 1.00 35.54 C ATOM 1009 C LEU A 69 -1.703 -7.016 0.083 1.00 60.21 C ATOM 1010 O LEU A 69 -2.705 -7.729 0.147 1.00 34.11 O ATOM 1011 CB LEU A 69 -1.771 -5.236 1.937 1.00 40.04 C ATOM 1012 CG LEU A 69 -3.037 -5.514 2.756 1.00 50.11 C ATOM 1013 CD1 LEU A 69 -2.699 -5.375 4.237 1.00 44.32 C ATOM 1014 CD2 LEU A 69 -4.139 -4.516 2.416 1.00 4.45 C ATOM 0 H LEU A 69 -3.751 -5.251 -0.211 1.00 0.04 H new ATOM 0 HA LEU A 69 -0.844 -5.096 0.063 1.00 35.54 H new ATOM 0 HB2 LEU A 69 -0.958 -5.808 2.384 1.00 40.04 H new ATOM 0 HB3 LEU A 69 -1.524 -4.182 2.061 1.00 40.04 H new ATOM 0 HG LEU A 69 -3.389 -6.519 2.524 1.00 50.11 H new ATOM 0 HD11 LEU A 69 -3.590 -5.570 4.833 1.00 44.32 H new ATOM 0 HD12 LEU A 69 -1.921 -6.092 4.502 1.00 44.32 H new ATOM 0 HD13 LEU A 69 -2.343 -4.364 4.436 1.00 44.32 H new ATOM 0 HD21 LEU A 69 -5.025 -4.736 3.011 1.00 4.45 H new ATOM 0 HD22 LEU A 69 -3.795 -3.505 2.637 1.00 4.45 H new ATOM 0 HD23 LEU A 69 -4.385 -4.592 1.357 1.00 4.45 H new ATOM 1026 N CYS A 70 -0.547 -7.464 -0.292 1.00 62.14 N ATOM 1027 CA CYS A 70 -0.339 -8.844 -0.625 1.00 0.43 C ATOM 1028 C CYS A 70 0.663 -9.433 0.346 1.00 3.22 C ATOM 1029 O CYS A 70 1.667 -8.778 0.665 1.00 52.43 O ATOM 1030 CB CYS A 70 0.161 -8.963 -2.066 1.00 71.00 C ATOM 1031 SG CYS A 70 -0.965 -8.255 -3.296 1.00 71.42 S ATOM 0 H CYS A 70 0.286 -6.882 -0.377 1.00 62.14 H new ATOM 0 HA CYS A 70 -1.277 -9.394 -0.549 1.00 0.43 H new ATOM 0 HB2 CYS A 70 1.129 -8.468 -2.146 1.00 71.00 H new ATOM 0 HB3 CYS A 70 0.322 -10.016 -2.299 1.00 71.00 H new ATOM 0 HG CYS A 70 -0.371 -8.208 -4.451 1.00 71.42 H new ATOM 1037 N ASP A 71 0.410 -10.629 0.854 1.00 30.21 N ATOM 1038 CA ASP A 71 1.350 -11.209 1.814 1.00 44.13 C ATOM 1039 C ASP A 71 1.712 -12.617 1.464 1.00 14.15 C ATOM 1040 O ASP A 71 0.949 -13.310 0.801 1.00 51.23 O ATOM 1041 CB ASP A 71 0.831 -11.186 3.253 1.00 22.11 C ATOM 1042 CG ASP A 71 -0.242 -12.215 3.523 1.00 43.42 C ATOM 1043 OD1 ASP A 71 0.102 -13.355 3.876 1.00 11.02 O ATOM 1044 OD2 ASP A 71 -1.429 -11.897 3.407 1.00 61.13 O ATOM 0 H ASP A 71 -0.404 -11.202 0.632 1.00 30.21 H new ATOM 0 HA ASP A 71 2.234 -10.575 1.754 1.00 44.13 H new ATOM 0 HB2 ASP A 71 1.665 -11.355 3.934 1.00 22.11 H new ATOM 0 HB3 ASP A 71 0.436 -10.194 3.473 1.00 22.11 H new ATOM 1049 N LYS A 72 2.894 -13.023 1.897 1.00 55.23 N ATOM 1050 CA LYS A 72 3.374 -14.381 1.719 1.00 23.14 C ATOM 1051 C LYS A 72 3.690 -15.026 3.063 1.00 3.43 C ATOM 1052 O LYS A 72 4.407 -16.030 3.113 1.00 31.34 O ATOM 1053 CB LYS A 72 4.654 -14.389 0.897 1.00 52.53 C ATOM 1054 CG LYS A 72 4.522 -13.854 -0.494 1.00 72.10 C ATOM 1055 CD LYS A 72 5.847 -13.925 -1.201 1.00 71.21 C ATOM 1056 CE LYS A 72 5.753 -13.385 -2.592 1.00 3.33 C ATOM 1057 NZ LYS A 72 7.053 -13.427 -3.275 1.00 21.15 N ATOM 0 H LYS A 72 3.551 -12.414 2.385 1.00 55.23 H new ATOM 0 HA LYS A 72 2.587 -14.937 1.210 1.00 23.14 H new ATOM 0 HB2 LYS A 72 5.409 -13.805 1.424 1.00 52.53 H new ATOM 0 HB3 LYS A 72 5.025 -15.413 0.842 1.00 52.53 H new ATOM 0 HG2 LYS A 72 3.776 -14.428 -1.044 1.00 72.10 H new ATOM 0 HG3 LYS A 72 4.172 -12.822 -0.464 1.00 72.10 H new ATOM 0 HD2 LYS A 72 6.591 -13.360 -0.640 1.00 71.21 H new ATOM 0 HD3 LYS A 72 6.189 -14.959 -1.233 1.00 71.21 H new ATOM 0 HE2 LYS A 72 5.024 -13.963 -3.159 1.00 3.33 H new ATOM 0 HE3 LYS A 72 5.390 -12.358 -2.561 1.00 3.33 H new ATOM 0 HZ1 LYS A 72 6.999 -12.881 -4.158 1.00 21.15 H new ATOM 0 HZ2 LYS A 72 7.783 -13.016 -2.658 1.00 21.15 H new ATOM 0 HZ3 LYS A 72 7.299 -14.414 -3.492 1.00 21.15 H new ATOM 1071 N PHE A 73 3.168 -14.482 4.159 1.00 35.24 N ATOM 1072 CA PHE A 73 3.486 -15.066 5.463 1.00 34.55 C ATOM 1073 C PHE A 73 2.862 -16.443 5.667 1.00 15.40 C ATOM 1074 O PHE A 73 3.322 -17.229 6.496 1.00 20.00 O ATOM 1075 CB PHE A 73 3.266 -14.116 6.670 1.00 33.10 C ATOM 1076 CG PHE A 73 1.893 -13.513 6.825 1.00 5.43 C ATOM 1077 CD1 PHE A 73 0.788 -14.299 7.087 1.00 24.02 C ATOM 1078 CD2 PHE A 73 1.725 -12.144 6.743 1.00 51.44 C ATOM 1079 CE1 PHE A 73 -0.456 -13.731 7.256 1.00 35.40 C ATOM 1080 CE2 PHE A 73 0.483 -11.573 6.909 1.00 5.22 C ATOM 1081 CZ PHE A 73 -0.607 -12.365 7.165 1.00 50.43 C ATOM 0 H PHE A 73 2.548 -13.672 4.177 1.00 35.24 H new ATOM 0 HA PHE A 73 4.565 -15.218 5.434 1.00 34.55 H new ATOM 0 HB2 PHE A 73 3.499 -14.667 7.581 1.00 33.10 H new ATOM 0 HB3 PHE A 73 3.987 -13.302 6.596 1.00 33.10 H new ATOM 0 HD1 PHE A 73 0.900 -15.371 7.160 1.00 24.02 H new ATOM 0 HD2 PHE A 73 2.579 -11.513 6.546 1.00 51.44 H new ATOM 0 HE1 PHE A 73 -1.312 -14.357 7.460 1.00 35.40 H new ATOM 0 HE2 PHE A 73 0.367 -10.502 6.838 1.00 5.22 H new ATOM 0 HZ PHE A 73 -1.582 -11.918 7.295 1.00 50.43 H new ATOM 1091 N SER A 74 1.828 -16.740 4.916 1.00 1.42 N ATOM 1092 CA SER A 74 1.232 -18.055 4.945 1.00 73.12 C ATOM 1093 C SER A 74 1.867 -18.958 3.871 1.00 23.42 C ATOM 1094 O SER A 74 1.380 -20.050 3.582 1.00 73.34 O ATOM 1095 CB SER A 74 -0.271 -17.924 4.737 1.00 72.30 C ATOM 1096 OG SER A 74 -0.557 -17.185 3.556 1.00 0.24 O ATOM 0 H SER A 74 1.380 -16.086 4.274 1.00 1.42 H new ATOM 0 HA SER A 74 1.416 -18.520 5.913 1.00 73.12 H new ATOM 0 HB2 SER A 74 -0.721 -18.915 4.669 1.00 72.30 H new ATOM 0 HB3 SER A 74 -0.720 -17.429 5.598 1.00 72.30 H new ATOM 0 HG SER A 74 -1.345 -17.566 3.115 1.00 0.24 H new ATOM 1102 N GLY A 75 2.955 -18.480 3.281 1.00 51.01 N ATOM 1103 CA GLY A 75 3.662 -19.225 2.267 1.00 11.42 C ATOM 1104 C GLY A 75 3.285 -18.770 0.883 1.00 13.10 C ATOM 1105 O GLY A 75 4.137 -18.497 0.053 1.00 62.35 O ATOM 0 H GLY A 75 3.364 -17.570 3.495 1.00 51.01 H new ATOM 0 HA2 GLY A 75 4.736 -19.107 2.410 1.00 11.42 H new ATOM 0 HA3 GLY A 75 3.441 -20.287 2.374 1.00 11.42 H new ATOM 1109 N HIS A 76 2.009 -18.656 0.659 1.00 52.24 N ATOM 1110 CA HIS A 76 1.493 -18.269 -0.645 1.00 11.50 C ATOM 1111 C HIS A 76 1.196 -16.797 -0.670 1.00 22.33 C ATOM 1112 O HIS A 76 0.656 -16.269 0.305 1.00 3.53 O ATOM 1113 CB HIS A 76 0.244 -19.062 -1.033 1.00 23.44 C ATOM 1114 CG HIS A 76 0.472 -20.527 -1.163 1.00 12.44 C ATOM 1115 ND1 HIS A 76 0.034 -21.439 -0.241 1.00 72.33 N ATOM 1116 CD2 HIS A 76 1.104 -21.239 -2.118 1.00 20.54 C ATOM 1117 CE1 HIS A 76 0.384 -22.644 -0.614 1.00 23.14 C ATOM 1118 NE2 HIS A 76 1.040 -22.559 -1.751 1.00 35.32 N ATOM 0 H HIS A 76 1.290 -18.825 1.363 1.00 52.24 H new ATOM 0 HA HIS A 76 2.266 -18.498 -1.379 1.00 11.50 H new ATOM 0 HB2 HIS A 76 -0.530 -18.890 -0.285 1.00 23.44 H new ATOM 0 HB3 HIS A 76 -0.137 -18.679 -1.979 1.00 23.44 H new ATOM 0 HD2 HIS A 76 1.573 -20.843 -3.007 1.00 20.54 H new ATOM 0 HE1 HIS A 76 0.170 -23.556 -0.077 1.00 23.14 H new ATOM 0 HE2 HIS A 76 1.434 -23.342 -2.272 1.00 35.32 H new ATOM 1127 N PRO A 77 1.563 -16.096 -1.757 1.00 21.21 N ATOM 1128 CA PRO A 77 1.229 -14.691 -1.905 1.00 32.35 C ATOM 1129 C PRO A 77 -0.273 -14.521 -2.107 1.00 24.42 C ATOM 1130 O PRO A 77 -0.860 -15.049 -3.072 1.00 43.42 O ATOM 1131 CB PRO A 77 1.996 -14.257 -3.161 1.00 71.14 C ATOM 1132 CG PRO A 77 2.259 -15.515 -3.916 1.00 11.14 C ATOM 1133 CD PRO A 77 2.341 -16.618 -2.901 1.00 52.40 C ATOM 0 HA PRO A 77 1.492 -14.099 -1.028 1.00 32.35 H new ATOM 0 HB2 PRO A 77 1.411 -13.556 -3.756 1.00 71.14 H new ATOM 0 HB3 PRO A 77 2.927 -13.754 -2.899 1.00 71.14 H new ATOM 0 HG2 PRO A 77 1.463 -15.709 -4.635 1.00 11.14 H new ATOM 0 HG3 PRO A 77 3.188 -15.440 -4.482 1.00 11.14 H new ATOM 0 HD2 PRO A 77 1.918 -17.547 -3.283 1.00 52.40 H new ATOM 0 HD3 PRO A 77 3.373 -16.829 -2.621 1.00 52.40 H new ATOM 1141 N LYS A 78 -0.891 -13.828 -1.202 1.00 64.41 N ATOM 1142 CA LYS A 78 -2.324 -13.612 -1.233 1.00 70.21 C ATOM 1143 C LYS A 78 -2.599 -12.174 -1.474 1.00 15.41 C ATOM 1144 O LYS A 78 -1.816 -11.331 -1.065 1.00 30.12 O ATOM 1145 CB LYS A 78 -2.949 -13.993 0.114 1.00 23.13 C ATOM 1146 CG LYS A 78 -2.648 -15.408 0.568 1.00 40.42 C ATOM 1147 CD LYS A 78 -3.521 -15.831 1.753 1.00 1.32 C ATOM 1148 CE LYS A 78 -3.379 -14.916 2.966 1.00 33.14 C ATOM 1149 NZ LYS A 78 -2.009 -14.901 3.522 1.00 13.24 N ATOM 0 H LYS A 78 -0.421 -13.388 -0.410 1.00 64.41 H new ATOM 0 HA LYS A 78 -2.749 -14.227 -2.026 1.00 70.21 H new ATOM 0 HB2 LYS A 78 -2.594 -13.298 0.875 1.00 23.13 H new ATOM 0 HB3 LYS A 78 -4.030 -13.868 0.047 1.00 23.13 H new ATOM 0 HG2 LYS A 78 -2.807 -16.096 -0.262 1.00 40.42 H new ATOM 0 HG3 LYS A 78 -1.597 -15.483 0.848 1.00 40.42 H new ATOM 0 HD2 LYS A 78 -4.565 -15.847 1.439 1.00 1.32 H new ATOM 0 HD3 LYS A 78 -3.260 -16.849 2.042 1.00 1.32 H new ATOM 0 HE2 LYS A 78 -3.662 -13.902 2.684 1.00 33.14 H new ATOM 0 HE3 LYS A 78 -4.076 -15.238 3.740 1.00 33.14 H new ATOM 0 HZ1 LYS A 78 -2.007 -14.388 4.427 1.00 13.24 H new ATOM 0 HZ2 LYS A 78 -1.687 -15.878 3.677 1.00 13.24 H new ATOM 0 HZ3 LYS A 78 -1.368 -14.427 2.854 1.00 13.24 H new ATOM 1163 N GLY A 79 -3.696 -11.887 -2.112 1.00 73.23 N ATOM 1164 CA GLY A 79 -4.031 -10.528 -2.369 1.00 33.11 C ATOM 1165 C GLY A 79 -5.355 -10.124 -1.755 1.00 3.24 C ATOM 1166 O GLY A 79 -6.354 -10.864 -1.837 1.00 41.31 O ATOM 0 H GLY A 79 -4.366 -12.574 -2.459 1.00 73.23 H new ATOM 0 HA2 GLY A 79 -3.243 -9.884 -1.978 1.00 33.11 H new ATOM 0 HA3 GLY A 79 -4.071 -10.366 -3.446 1.00 33.11 H new ATOM 1170 N TYR A 80 -5.347 -8.975 -1.133 1.00 14.11 N ATOM 1171 CA TYR A 80 -6.513 -8.354 -0.559 1.00 2.40 C ATOM 1172 C TYR A 80 -6.329 -6.854 -0.533 1.00 74.11 C ATOM 1173 O TYR A 80 -5.216 -6.359 -0.353 1.00 31.23 O ATOM 1174 CB TYR A 80 -6.921 -8.959 0.814 1.00 70.34 C ATOM 1175 CG TYR A 80 -5.801 -9.158 1.821 1.00 73.54 C ATOM 1176 CD1 TYR A 80 -5.071 -10.334 1.818 1.00 4.24 C ATOM 1177 CD2 TYR A 80 -5.486 -8.196 2.775 1.00 23.25 C ATOM 1178 CE1 TYR A 80 -4.061 -10.552 2.719 1.00 42.25 C ATOM 1179 CE2 TYR A 80 -4.461 -8.413 3.691 1.00 33.51 C ATOM 1180 CZ TYR A 80 -3.758 -9.594 3.655 1.00 63.40 C ATOM 1181 OH TYR A 80 -2.722 -9.822 4.553 1.00 15.04 O ATOM 0 H TYR A 80 -4.497 -8.425 -1.007 1.00 14.11 H new ATOM 0 HA TYR A 80 -7.367 -8.574 -1.200 1.00 2.40 H new ATOM 0 HB2 TYR A 80 -7.674 -8.311 1.263 1.00 70.34 H new ATOM 0 HB3 TYR A 80 -7.396 -9.924 0.635 1.00 70.34 H new ATOM 0 HD1 TYR A 80 -5.302 -11.097 1.089 1.00 4.24 H new ATOM 0 HD2 TYR A 80 -6.043 -7.271 2.805 1.00 23.25 H new ATOM 0 HE1 TYR A 80 -3.504 -11.477 2.693 1.00 42.25 H new ATOM 0 HE2 TYR A 80 -4.219 -7.659 4.425 1.00 33.51 H new ATOM 0 HH TYR A 80 -2.047 -10.397 4.135 1.00 15.04 H new ATOM 1191 N ALA A 81 -7.388 -6.133 -0.743 1.00 42.33 N ATOM 1192 CA ALA A 81 -7.294 -4.709 -0.884 1.00 23.23 C ATOM 1193 C ALA A 81 -8.444 -4.004 -0.217 1.00 31.12 C ATOM 1194 O ALA A 81 -9.500 -4.579 -0.011 1.00 64.01 O ATOM 1195 CB ALA A 81 -7.253 -4.340 -2.364 1.00 10.10 C ATOM 0 H ALA A 81 -8.333 -6.508 -0.821 1.00 42.33 H new ATOM 0 HA ALA A 81 -6.376 -4.386 -0.394 1.00 23.23 H new ATOM 0 HB1 ALA A 81 -7.182 -3.257 -2.467 1.00 10.10 H new ATOM 0 HB2 ALA A 81 -6.386 -4.807 -2.832 1.00 10.10 H new ATOM 0 HB3 ALA A 81 -8.162 -4.692 -2.852 1.00 10.10 H new ATOM 1201 N TYR A 82 -8.223 -2.780 0.135 1.00 20.02 N ATOM 1202 CA TYR A 82 -9.241 -1.935 0.668 1.00 32.42 C ATOM 1203 C TYR A 82 -9.451 -0.822 -0.313 1.00 61.31 C ATOM 1204 O TYR A 82 -8.478 -0.226 -0.784 1.00 54.51 O ATOM 1205 CB TYR A 82 -8.828 -1.317 1.993 1.00 44.35 C ATOM 1206 CG TYR A 82 -8.454 -2.272 3.093 1.00 24.44 C ATOM 1207 CD1 TYR A 82 -9.265 -3.352 3.438 1.00 53.41 C ATOM 1208 CD2 TYR A 82 -7.306 -2.054 3.831 1.00 42.43 C ATOM 1209 CE1 TYR A 82 -8.921 -4.183 4.496 1.00 40.21 C ATOM 1210 CE2 TYR A 82 -6.961 -2.877 4.868 1.00 14.22 C ATOM 1211 CZ TYR A 82 -7.766 -3.932 5.198 1.00 22.50 C ATOM 1212 OH TYR A 82 -7.428 -4.728 6.249 1.00 74.04 O ATOM 0 H TYR A 82 -7.311 -2.330 0.059 1.00 20.02 H new ATOM 0 HA TYR A 82 -10.140 -2.528 0.834 1.00 32.42 H new ATOM 0 HB2 TYR A 82 -7.980 -0.657 1.812 1.00 44.35 H new ATOM 0 HB3 TYR A 82 -9.648 -0.692 2.348 1.00 44.35 H new ATOM 0 HD1 TYR A 82 -10.168 -3.544 2.878 1.00 53.41 H new ATOM 0 HD2 TYR A 82 -6.669 -1.218 3.584 1.00 42.43 H new ATOM 0 HE1 TYR A 82 -9.553 -5.017 4.764 1.00 40.21 H new ATOM 0 HE2 TYR A 82 -6.054 -2.694 5.425 1.00 14.22 H new ATOM 0 HH TYR A 82 -6.583 -4.417 6.637 1.00 74.04 H new ATOM 1222 N ILE A 83 -10.664 -0.572 -0.672 1.00 32.40 N ATOM 1223 CA ILE A 83 -10.956 0.493 -1.590 1.00 55.44 C ATOM 1224 C ILE A 83 -11.724 1.586 -0.837 1.00 35.41 C ATOM 1225 O ILE A 83 -12.850 1.359 -0.384 1.00 55.40 O ATOM 1226 CB ILE A 83 -11.817 -0.039 -2.781 1.00 45.14 C ATOM 1227 CG1 ILE A 83 -11.171 -1.274 -3.439 1.00 73.23 C ATOM 1228 CG2 ILE A 83 -12.046 1.030 -3.832 1.00 31.44 C ATOM 1229 CD1 ILE A 83 -9.757 -1.064 -3.940 1.00 54.23 C ATOM 0 H ILE A 83 -11.479 -1.090 -0.345 1.00 32.40 H new ATOM 0 HA ILE A 83 -10.027 0.897 -1.993 1.00 55.44 H new ATOM 0 HB ILE A 83 -12.781 -0.326 -2.360 1.00 45.14 H new ATOM 0 HG12 ILE A 83 -11.168 -2.092 -2.718 1.00 73.23 H new ATOM 0 HG13 ILE A 83 -11.794 -1.589 -4.276 1.00 73.23 H new ATOM 0 HG21 ILE A 83 -12.648 0.620 -4.643 1.00 31.44 H new ATOM 0 HG22 ILE A 83 -12.568 1.875 -3.384 1.00 31.44 H new ATOM 0 HG23 ILE A 83 -11.086 1.364 -4.226 1.00 31.44 H new ATOM 0 HD11 ILE A 83 -9.388 -1.988 -4.386 1.00 54.23 H new ATOM 0 HD12 ILE A 83 -9.750 -0.272 -4.688 1.00 54.23 H new ATOM 0 HD13 ILE A 83 -9.114 -0.782 -3.107 1.00 54.23 H new ATOM 1241 N GLU A 84 -11.104 2.735 -0.672 1.00 33.30 N ATOM 1242 CA GLU A 84 -11.704 3.856 0.040 1.00 52.04 C ATOM 1243 C GLU A 84 -12.531 4.730 -0.916 1.00 3.23 C ATOM 1244 O GLU A 84 -11.990 5.307 -1.869 1.00 41.13 O ATOM 1245 CB GLU A 84 -10.615 4.738 0.705 1.00 73.42 C ATOM 1246 CG GLU A 84 -9.864 4.153 1.931 1.00 40.35 C ATOM 1247 CD GLU A 84 -9.083 2.864 1.703 1.00 22.15 C ATOM 1248 OE1 GLU A 84 -7.932 2.937 1.201 1.00 23.22 O ATOM 1249 OE2 GLU A 84 -9.577 1.777 2.105 1.00 25.24 O ATOM 0 H GLU A 84 -10.167 2.924 -1.027 1.00 33.30 H new ATOM 0 HA GLU A 84 -12.354 3.440 0.810 1.00 52.04 H new ATOM 0 HB2 GLU A 84 -9.874 4.987 -0.055 1.00 73.42 H new ATOM 0 HB3 GLU A 84 -11.082 5.673 1.013 1.00 73.42 H new ATOM 0 HG2 GLU A 84 -9.172 4.910 2.299 1.00 40.35 H new ATOM 0 HG3 GLU A 84 -10.592 3.975 2.723 1.00 40.35 H new ATOM 1256 N PHE A 85 -13.822 4.845 -0.658 1.00 35.04 N ATOM 1257 CA PHE A 85 -14.693 5.671 -1.480 1.00 53.34 C ATOM 1258 C PHE A 85 -15.035 6.990 -0.788 1.00 33.32 C ATOM 1259 O PHE A 85 -14.832 7.157 0.420 1.00 12.43 O ATOM 1260 CB PHE A 85 -16.001 4.952 -1.810 1.00 34.14 C ATOM 1261 CG PHE A 85 -15.871 3.678 -2.590 1.00 42.43 C ATOM 1262 CD1 PHE A 85 -15.750 3.703 -3.969 1.00 43.22 C ATOM 1263 CD2 PHE A 85 -15.901 2.454 -1.948 1.00 52.22 C ATOM 1264 CE1 PHE A 85 -15.654 2.531 -4.689 1.00 43.13 C ATOM 1265 CE2 PHE A 85 -15.811 1.284 -2.663 1.00 73.22 C ATOM 1266 CZ PHE A 85 -15.687 1.319 -4.032 1.00 53.31 C ATOM 0 H PHE A 85 -14.293 4.376 0.116 1.00 35.04 H new ATOM 0 HA PHE A 85 -14.142 5.872 -2.399 1.00 53.34 H new ATOM 0 HB2 PHE A 85 -16.517 4.732 -0.876 1.00 34.14 H new ATOM 0 HB3 PHE A 85 -16.637 5.636 -2.372 1.00 34.14 H new ATOM 0 HD1 PHE A 85 -15.731 4.651 -4.486 1.00 43.22 H new ATOM 0 HD2 PHE A 85 -15.996 2.417 -0.873 1.00 52.22 H new ATOM 0 HE1 PHE A 85 -15.553 2.562 -5.764 1.00 43.13 H new ATOM 0 HE2 PHE A 85 -15.838 0.335 -2.149 1.00 73.22 H new ATOM 0 HZ PHE A 85 -15.616 0.398 -4.592 1.00 53.31 H new ATOM 1276 N ALA A 86 -15.527 7.923 -1.575 1.00 73.40 N ATOM 1277 CA ALA A 86 -15.990 9.213 -1.087 1.00 33.51 C ATOM 1278 C ALA A 86 -17.374 9.123 -0.451 1.00 70.33 C ATOM 1279 O ALA A 86 -17.741 9.965 0.363 1.00 53.45 O ATOM 1280 CB ALA A 86 -16.016 10.222 -2.222 1.00 54.41 C ATOM 0 H ALA A 86 -15.620 7.810 -2.584 1.00 73.40 H new ATOM 0 HA ALA A 86 -15.290 9.538 -0.318 1.00 33.51 H new ATOM 0 HB1 ALA A 86 -16.364 11.184 -1.846 1.00 54.41 H new ATOM 0 HB2 ALA A 86 -15.012 10.334 -2.632 1.00 54.41 H new ATOM 0 HB3 ALA A 86 -16.690 9.873 -3.004 1.00 54.41 H new ATOM 1286 N GLU A 87 -18.143 8.121 -0.833 1.00 11.32 N ATOM 1287 CA GLU A 87 -19.492 7.957 -0.315 1.00 23.12 C ATOM 1288 C GLU A 87 -19.746 6.586 0.297 1.00 32.12 C ATOM 1289 O GLU A 87 -19.159 5.584 -0.110 1.00 21.54 O ATOM 1290 CB GLU A 87 -20.509 8.205 -1.428 1.00 12.32 C ATOM 1291 CG GLU A 87 -20.635 9.651 -1.851 1.00 74.12 C ATOM 1292 CD GLU A 87 -21.196 10.502 -0.743 1.00 34.23 C ATOM 1293 OE1 GLU A 87 -22.421 10.443 -0.501 1.00 71.43 O ATOM 1294 OE2 GLU A 87 -20.447 11.234 -0.090 1.00 11.51 O ATOM 0 H GLU A 87 -17.858 7.406 -1.502 1.00 11.32 H new ATOM 0 HA GLU A 87 -19.603 8.689 0.485 1.00 23.12 H new ATOM 0 HB2 GLU A 87 -20.231 7.608 -2.297 1.00 12.32 H new ATOM 0 HB3 GLU A 87 -21.485 7.850 -1.097 1.00 12.32 H new ATOM 0 HG2 GLU A 87 -19.657 10.032 -2.144 1.00 74.12 H new ATOM 0 HG3 GLU A 87 -21.280 9.720 -2.727 1.00 74.12 H new ATOM 1301 N ARG A 88 -20.647 6.560 1.281 1.00 44.05 N ATOM 1302 CA ARG A 88 -21.127 5.321 1.891 1.00 23.44 C ATOM 1303 C ARG A 88 -22.001 4.586 0.893 1.00 63.22 C ATOM 1304 O ARG A 88 -22.069 3.369 0.901 1.00 73.31 O ATOM 1305 CB ARG A 88 -21.919 5.619 3.174 1.00 63.23 C ATOM 1306 CG ARG A 88 -21.073 5.996 4.382 1.00 55.53 C ATOM 1307 CD ARG A 88 -20.421 4.759 5.009 1.00 14.02 C ATOM 1308 NE ARG A 88 -21.448 3.855 5.557 1.00 43.53 N ATOM 1309 CZ ARG A 88 -21.263 2.617 6.060 1.00 52.32 C ATOM 1310 NH1 ARG A 88 -20.059 2.048 6.084 1.00 12.54 N ATOM 1311 NH2 ARG A 88 -22.307 1.953 6.534 1.00 65.35 N ATOM 0 H ARG A 88 -21.065 7.402 1.678 1.00 44.05 H new ATOM 0 HA ARG A 88 -20.274 4.699 2.160 1.00 23.44 H new ATOM 0 HB2 ARG A 88 -22.617 6.431 2.971 1.00 63.23 H new ATOM 0 HB3 ARG A 88 -22.515 4.742 3.427 1.00 63.23 H new ATOM 0 HG2 ARG A 88 -20.301 6.705 4.082 1.00 55.53 H new ATOM 0 HG3 ARG A 88 -21.695 6.497 5.123 1.00 55.53 H new ATOM 0 HD2 ARG A 88 -19.829 4.234 4.260 1.00 14.02 H new ATOM 0 HD3 ARG A 88 -19.736 5.063 5.801 1.00 14.02 H new ATOM 0 HE ARG A 88 -22.406 4.205 5.556 1.00 43.53 H new ATOM 0 HH11 ARG A 88 -19.250 2.550 5.717 1.00 12.54 H new ATOM 0 HH12 ARG A 88 -19.946 1.111 6.470 1.00 12.54 H new ATOM 0 HH21 ARG A 88 -23.234 2.379 6.515 1.00 65.35 H new ATOM 0 HH22 ARG A 88 -22.184 1.016 6.918 1.00 65.35 H new ATOM 1325 N ASN A 89 -22.655 5.349 0.013 1.00 71.51 N ATOM 1326 CA ASN A 89 -23.473 4.764 -1.066 1.00 11.01 C ATOM 1327 C ASN A 89 -22.624 3.878 -1.940 1.00 32.30 C ATOM 1328 O ASN A 89 -23.092 2.847 -2.426 1.00 70.53 O ATOM 1329 CB ASN A 89 -24.116 5.832 -1.962 1.00 71.13 C ATOM 1330 CG ASN A 89 -25.335 6.578 -1.402 1.00 2.42 C ATOM 1331 OD1 ASN A 89 -26.163 7.044 -2.146 1.00 34.32 O ATOM 1332 ND2 ASN A 89 -25.478 6.666 -0.146 1.00 65.30 N ATOM 0 H ASN A 89 -22.638 6.369 0.022 1.00 71.51 H new ATOM 0 HA ASN A 89 -24.263 4.194 -0.577 1.00 11.01 H new ATOM 0 HB2 ASN A 89 -23.353 6.570 -2.209 1.00 71.13 H new ATOM 0 HB3 ASN A 89 -24.412 5.355 -2.896 1.00 71.13 H new ATOM 0 HD21 ASN A 89 -26.297 7.133 0.243 1.00 65.30 H new ATOM 0 HD22 ASN A 89 -24.774 6.270 0.476 1.00 65.30 H new ATOM 1339 N SER A 90 -21.366 4.264 -2.142 1.00 11.35 N ATOM 1340 CA SER A 90 -20.473 3.513 -2.965 1.00 62.34 C ATOM 1341 C SER A 90 -20.199 2.143 -2.366 1.00 2.12 C ATOM 1342 O SER A 90 -20.095 1.154 -3.100 1.00 73.21 O ATOM 1343 CB SER A 90 -19.183 4.284 -3.124 1.00 43.22 C ATOM 1344 OG SER A 90 -19.438 5.602 -3.569 1.00 11.02 O ATOM 0 H SER A 90 -20.956 5.104 -1.734 1.00 11.35 H new ATOM 0 HA SER A 90 -20.934 3.361 -3.941 1.00 62.34 H new ATOM 0 HB2 SER A 90 -18.652 4.313 -2.173 1.00 43.22 H new ATOM 0 HB3 SER A 90 -18.534 3.774 -3.836 1.00 43.22 H new ATOM 0 HG SER A 90 -18.591 6.085 -3.664 1.00 11.02 H new ATOM 1350 N VAL A 91 -20.103 2.066 -1.022 1.00 22.25 N ATOM 1351 CA VAL A 91 -19.848 0.786 -0.398 1.00 64.15 C ATOM 1352 C VAL A 91 -21.022 -0.129 -0.655 1.00 31.34 C ATOM 1353 O VAL A 91 -20.831 -1.286 -0.962 1.00 74.30 O ATOM 1354 CB VAL A 91 -19.482 0.832 1.140 1.00 44.31 C ATOM 1355 CG1 VAL A 91 -18.449 1.883 1.431 1.00 52.33 C ATOM 1356 CG2 VAL A 91 -20.675 0.930 2.086 1.00 60.42 C ATOM 0 H VAL A 91 -20.197 2.854 -0.382 1.00 22.25 H new ATOM 0 HA VAL A 91 -18.942 0.399 -0.864 1.00 64.15 H new ATOM 0 HB VAL A 91 -19.049 -0.146 1.351 1.00 44.31 H new ATOM 0 HG11 VAL A 91 -18.223 1.885 2.497 1.00 52.33 H new ATOM 0 HG12 VAL A 91 -17.541 1.667 0.868 1.00 52.33 H new ATOM 0 HG13 VAL A 91 -18.833 2.861 1.139 1.00 52.33 H new ATOM 0 HG21 VAL A 91 -20.321 0.955 3.117 1.00 60.42 H new ATOM 0 HG22 VAL A 91 -21.235 1.840 1.872 1.00 60.42 H new ATOM 0 HG23 VAL A 91 -21.322 0.064 1.946 1.00 60.42 H new ATOM 1366 N ASP A 92 -22.250 0.427 -0.598 1.00 61.14 N ATOM 1367 CA ASP A 92 -23.469 -0.347 -0.882 1.00 44.45 C ATOM 1368 C ASP A 92 -23.462 -0.911 -2.288 1.00 74.30 C ATOM 1369 O ASP A 92 -23.956 -2.016 -2.534 1.00 51.10 O ATOM 1370 CB ASP A 92 -24.743 0.480 -0.684 1.00 32.01 C ATOM 1371 CG ASP A 92 -25.083 0.764 0.754 1.00 0.15 C ATOM 1372 OD1 ASP A 92 -25.302 -0.192 1.531 1.00 24.01 O ATOM 1373 OD2 ASP A 92 -25.141 1.947 1.138 1.00 52.31 O ATOM 0 H ASP A 92 -22.420 1.404 -0.359 1.00 61.14 H new ATOM 0 HA ASP A 92 -23.470 -1.168 -0.165 1.00 44.45 H new ATOM 0 HB2 ASP A 92 -24.633 1.427 -1.212 1.00 32.01 H new ATOM 0 HB3 ASP A 92 -25.579 -0.047 -1.145 1.00 32.01 H new ATOM 1378 N ALA A 93 -22.898 -0.160 -3.204 1.00 13.11 N ATOM 1379 CA ALA A 93 -22.816 -0.583 -4.583 1.00 53.52 C ATOM 1380 C ALA A 93 -21.763 -1.678 -4.741 1.00 62.43 C ATOM 1381 O ALA A 93 -21.950 -2.629 -5.494 1.00 21.01 O ATOM 1382 CB ALA A 93 -22.515 0.602 -5.484 1.00 73.53 C ATOM 0 H ALA A 93 -22.486 0.754 -3.018 1.00 13.11 H new ATOM 0 HA ALA A 93 -23.779 -0.996 -4.882 1.00 53.52 H new ATOM 0 HB1 ALA A 93 -22.456 0.266 -6.519 1.00 73.53 H new ATOM 0 HB2 ALA A 93 -23.308 1.343 -5.387 1.00 73.53 H new ATOM 0 HB3 ALA A 93 -21.564 1.048 -5.193 1.00 73.53 H new ATOM 1388 N ALA A 94 -20.674 -1.549 -4.004 1.00 52.02 N ATOM 1389 CA ALA A 94 -19.585 -2.512 -4.062 1.00 2.14 C ATOM 1390 C ALA A 94 -19.979 -3.819 -3.367 1.00 22.24 C ATOM 1391 O ALA A 94 -19.741 -4.897 -3.888 1.00 65.15 O ATOM 1392 CB ALA A 94 -18.320 -1.920 -3.448 1.00 55.24 C ATOM 0 H ALA A 94 -20.519 -0.780 -3.352 1.00 52.02 H new ATOM 0 HA ALA A 94 -19.379 -2.742 -5.107 1.00 2.14 H new ATOM 0 HB1 ALA A 94 -17.514 -2.652 -3.499 1.00 55.24 H new ATOM 0 HB2 ALA A 94 -18.032 -1.025 -4.000 1.00 55.24 H new ATOM 0 HB3 ALA A 94 -18.509 -1.659 -2.407 1.00 55.24 H new ATOM 1398 N VAL A 95 -20.591 -3.704 -2.191 1.00 71.14 N ATOM 1399 CA VAL A 95 -21.057 -4.876 -1.427 1.00 75.11 C ATOM 1400 C VAL A 95 -22.100 -5.683 -2.204 1.00 33.34 C ATOM 1401 O VAL A 95 -22.277 -6.853 -1.953 1.00 24.02 O ATOM 1402 CB VAL A 95 -21.605 -4.526 -0.010 1.00 41.13 C ATOM 1403 CG1 VAL A 95 -20.598 -3.732 0.784 1.00 4.11 C ATOM 1404 CG2 VAL A 95 -22.942 -3.814 -0.067 1.00 31.31 C ATOM 0 H VAL A 95 -20.780 -2.810 -1.738 1.00 71.14 H new ATOM 0 HA VAL A 95 -20.166 -5.487 -1.282 1.00 75.11 H new ATOM 0 HB VAL A 95 -21.773 -5.472 0.505 1.00 41.13 H new ATOM 0 HG11 VAL A 95 -21.009 -3.503 1.767 1.00 4.11 H new ATOM 0 HG12 VAL A 95 -19.684 -4.315 0.899 1.00 4.11 H new ATOM 0 HG13 VAL A 95 -20.372 -2.803 0.260 1.00 4.11 H new ATOM 0 HG21 VAL A 95 -23.280 -3.593 0.945 1.00 31.31 H new ATOM 0 HG22 VAL A 95 -22.835 -2.884 -0.625 1.00 31.31 H new ATOM 0 HG23 VAL A 95 -23.674 -4.453 -0.562 1.00 31.31 H new ATOM 1414 N ALA A 96 -22.786 -5.050 -3.152 1.00 51.33 N ATOM 1415 CA ALA A 96 -23.752 -5.756 -3.997 1.00 41.33 C ATOM 1416 C ALA A 96 -23.028 -6.706 -4.959 1.00 75.43 C ATOM 1417 O ALA A 96 -23.620 -7.616 -5.534 1.00 54.11 O ATOM 1418 CB ALA A 96 -24.592 -4.760 -4.778 1.00 4.53 C ATOM 0 H ALA A 96 -22.694 -4.055 -3.356 1.00 51.33 H new ATOM 0 HA ALA A 96 -24.409 -6.344 -3.356 1.00 41.33 H new ATOM 0 HB1 ALA A 96 -25.306 -5.297 -5.402 1.00 4.53 H new ATOM 0 HB2 ALA A 96 -25.130 -4.115 -4.084 1.00 4.53 H new ATOM 0 HB3 ALA A 96 -23.943 -4.153 -5.409 1.00 4.53 H new ATOM 1424 N MET A 97 -21.745 -6.483 -5.090 1.00 42.23 N ATOM 1425 CA MET A 97 -20.874 -7.247 -5.952 1.00 72.02 C ATOM 1426 C MET A 97 -20.021 -8.190 -5.096 1.00 13.02 C ATOM 1427 O MET A 97 -19.094 -8.827 -5.592 1.00 33.34 O ATOM 1428 CB MET A 97 -20.012 -6.250 -6.775 1.00 51.31 C ATOM 1429 CG MET A 97 -19.035 -6.853 -7.759 1.00 25.42 C ATOM 1430 SD MET A 97 -18.273 -5.624 -8.860 1.00 51.31 S ATOM 1431 CE MET A 97 -17.856 -4.315 -7.717 1.00 12.01 C ATOM 0 H MET A 97 -21.261 -5.741 -4.584 1.00 42.23 H new ATOM 0 HA MET A 97 -21.440 -7.866 -6.649 1.00 72.02 H new ATOM 0 HB2 MET A 97 -20.684 -5.590 -7.323 1.00 51.31 H new ATOM 0 HB3 MET A 97 -19.452 -5.627 -6.077 1.00 51.31 H new ATOM 0 HG2 MET A 97 -18.251 -7.374 -7.209 1.00 25.42 H new ATOM 0 HG3 MET A 97 -19.551 -7.600 -8.362 1.00 25.42 H new ATOM 0 HE1 MET A 97 -17.287 -3.545 -8.238 1.00 12.01 H new ATOM 0 HE2 MET A 97 -18.770 -3.880 -7.313 1.00 12.01 H new ATOM 0 HE3 MET A 97 -17.256 -4.721 -6.902 1.00 12.01 H new ATOM 1441 N ASP A 98 -20.376 -8.268 -3.781 1.00 42.44 N ATOM 1442 CA ASP A 98 -19.673 -9.104 -2.774 1.00 34.53 C ATOM 1443 C ASP A 98 -19.198 -10.430 -3.309 1.00 53.34 C ATOM 1444 O ASP A 98 -18.062 -10.775 -3.086 1.00 34.14 O ATOM 1445 CB ASP A 98 -20.498 -9.324 -1.479 1.00 22.41 C ATOM 1446 CG ASP A 98 -21.668 -10.276 -1.614 1.00 73.23 C ATOM 1447 OD1 ASP A 98 -22.724 -9.882 -2.148 1.00 52.42 O ATOM 1448 OD2 ASP A 98 -21.538 -11.439 -1.178 1.00 63.24 O ATOM 0 H ASP A 98 -21.163 -7.748 -3.392 1.00 42.44 H new ATOM 0 HA ASP A 98 -18.791 -8.517 -2.521 1.00 34.53 H new ATOM 0 HB2 ASP A 98 -19.832 -9.700 -0.702 1.00 22.41 H new ATOM 0 HB3 ASP A 98 -20.873 -8.359 -1.138 1.00 22.41 H new ATOM 1453 N GLU A 99 -20.048 -11.188 -3.980 1.00 30.30 N ATOM 1454 CA GLU A 99 -19.602 -12.402 -4.579 1.00 14.41 C ATOM 1455 C GLU A 99 -19.719 -12.316 -6.099 1.00 43.43 C ATOM 1456 O GLU A 99 -20.813 -12.380 -6.672 1.00 32.11 O ATOM 1457 CB GLU A 99 -20.360 -13.601 -4.009 1.00 20.00 C ATOM 1458 CG GLU A 99 -19.871 -14.944 -4.517 1.00 34.55 C ATOM 1459 CD GLU A 99 -20.545 -16.103 -3.839 1.00 41.14 C ATOM 1460 OE1 GLU A 99 -20.041 -16.558 -2.793 1.00 70.24 O ATOM 1461 OE2 GLU A 99 -21.575 -16.586 -4.342 1.00 3.33 O ATOM 0 H GLU A 99 -21.036 -10.975 -4.115 1.00 30.30 H new ATOM 0 HA GLU A 99 -18.549 -12.549 -4.338 1.00 14.41 H new ATOM 0 HB2 GLU A 99 -20.279 -13.585 -2.922 1.00 20.00 H new ATOM 0 HB3 GLU A 99 -21.418 -13.497 -4.251 1.00 20.00 H new ATOM 0 HG2 GLU A 99 -20.045 -15.006 -5.591 1.00 34.55 H new ATOM 0 HG3 GLU A 99 -18.794 -15.015 -4.364 1.00 34.55 H new ATOM 1468 N THR A 100 -18.602 -12.136 -6.716 1.00 13.24 N ATOM 1469 CA THR A 100 -18.510 -12.035 -8.153 1.00 44.12 C ATOM 1470 C THR A 100 -17.201 -12.675 -8.604 1.00 1.53 C ATOM 1471 O THR A 100 -16.379 -13.052 -7.770 1.00 62.31 O ATOM 1472 CB THR A 100 -18.598 -10.544 -8.631 1.00 11.35 C ATOM 1473 OG1 THR A 100 -18.727 -10.474 -10.057 1.00 22.13 O ATOM 1474 CG2 THR A 100 -17.362 -9.772 -8.228 1.00 70.32 C ATOM 0 H THR A 100 -17.705 -12.052 -6.238 1.00 13.24 H new ATOM 0 HA THR A 100 -19.352 -12.561 -8.603 1.00 44.12 H new ATOM 0 HB THR A 100 -19.476 -10.106 -8.157 1.00 11.35 H new ATOM 0 HG1 THR A 100 -18.782 -9.536 -10.335 1.00 22.13 H new ATOM 0 HG21 THR A 100 -17.449 -8.741 -8.572 1.00 70.32 H new ATOM 0 HG22 THR A 100 -17.262 -9.786 -7.143 1.00 70.32 H new ATOM 0 HG23 THR A 100 -16.483 -10.232 -8.679 1.00 70.32 H new ATOM 1482 N VAL A 101 -17.000 -12.793 -9.886 1.00 53.11 N ATOM 1483 CA VAL A 101 -15.799 -13.389 -10.399 1.00 3.40 C ATOM 1484 C VAL A 101 -14.876 -12.310 -10.982 1.00 14.21 C ATOM 1485 O VAL A 101 -15.219 -11.606 -11.939 1.00 71.15 O ATOM 1486 CB VAL A 101 -16.090 -14.541 -11.420 1.00 55.22 C ATOM 1487 CG1 VAL A 101 -16.893 -14.059 -12.602 1.00 21.42 C ATOM 1488 CG2 VAL A 101 -14.810 -15.212 -11.876 1.00 33.32 C ATOM 0 H VAL A 101 -17.658 -12.482 -10.600 1.00 53.11 H new ATOM 0 HA VAL A 101 -15.279 -13.862 -9.566 1.00 3.40 H new ATOM 0 HB VAL A 101 -16.693 -15.282 -10.896 1.00 55.22 H new ATOM 0 HG11 VAL A 101 -17.071 -14.890 -13.284 1.00 21.42 H new ATOM 0 HG12 VAL A 101 -17.847 -13.662 -12.256 1.00 21.42 H new ATOM 0 HG13 VAL A 101 -16.341 -13.276 -13.122 1.00 21.42 H new ATOM 0 HG21 VAL A 101 -15.048 -16.006 -12.584 1.00 33.32 H new ATOM 0 HG22 VAL A 101 -14.166 -14.477 -12.359 1.00 33.32 H new ATOM 0 HG23 VAL A 101 -14.294 -15.636 -11.014 1.00 33.32 H new ATOM 1498 N PHE A 102 -13.742 -12.163 -10.372 1.00 23.31 N ATOM 1499 CA PHE A 102 -12.771 -11.187 -10.762 1.00 53.22 C ATOM 1500 C PHE A 102 -11.479 -11.909 -11.069 1.00 24.43 C ATOM 1501 O PHE A 102 -10.913 -12.582 -10.195 1.00 44.23 O ATOM 1502 CB PHE A 102 -12.590 -10.181 -9.610 1.00 60.13 C ATOM 1503 CG PHE A 102 -11.665 -9.015 -9.865 1.00 32.24 C ATOM 1504 CD1 PHE A 102 -12.153 -7.831 -10.389 1.00 60.43 C ATOM 1505 CD2 PHE A 102 -10.316 -9.096 -9.554 1.00 73.50 C ATOM 1506 CE1 PHE A 102 -11.315 -6.753 -10.601 1.00 52.21 C ATOM 1507 CE2 PHE A 102 -9.476 -8.017 -9.763 1.00 75.41 C ATOM 1508 CZ PHE A 102 -9.977 -6.847 -10.288 1.00 71.31 C ATOM 0 H PHE A 102 -13.459 -12.729 -9.572 1.00 23.31 H new ATOM 0 HA PHE A 102 -13.089 -10.638 -11.648 1.00 53.22 H new ATOM 0 HB2 PHE A 102 -13.571 -9.785 -9.347 1.00 60.13 H new ATOM 0 HB3 PHE A 102 -12.221 -10.724 -8.740 1.00 60.13 H new ATOM 0 HD1 PHE A 102 -13.201 -7.748 -10.635 1.00 60.43 H new ATOM 0 HD2 PHE A 102 -9.917 -10.012 -9.144 1.00 73.50 H new ATOM 0 HE1 PHE A 102 -11.710 -5.836 -11.013 1.00 52.21 H new ATOM 0 HE2 PHE A 102 -8.428 -8.092 -9.514 1.00 75.41 H new ATOM 0 HZ PHE A 102 -9.322 -6.004 -10.454 1.00 71.31 H new ATOM 1518 N ARG A 103 -11.040 -11.808 -12.316 1.00 74.01 N ATOM 1519 CA ARG A 103 -9.811 -12.434 -12.798 1.00 24.20 C ATOM 1520 C ARG A 103 -9.846 -13.949 -12.706 1.00 31.10 C ATOM 1521 O ARG A 103 -8.816 -14.614 -12.523 1.00 61.12 O ATOM 1522 CB ARG A 103 -8.604 -11.844 -12.108 1.00 50.22 C ATOM 1523 CG ARG A 103 -8.439 -10.395 -12.443 1.00 61.52 C ATOM 1524 CD ARG A 103 -7.185 -9.833 -11.882 1.00 30.21 C ATOM 1525 NE ARG A 103 -7.002 -8.463 -12.323 1.00 35.23 N ATOM 1526 CZ ARG A 103 -5.873 -7.979 -12.805 1.00 12.35 C ATOM 1527 NH1 ARG A 103 -4.819 -8.782 -12.962 1.00 3.15 N ATOM 1528 NH2 ARG A 103 -5.808 -6.711 -13.166 1.00 4.34 N ATOM 0 H ARG A 103 -11.534 -11.280 -13.035 1.00 74.01 H new ATOM 0 HA ARG A 103 -9.729 -12.210 -13.862 1.00 24.20 H new ATOM 0 HB2 ARG A 103 -8.706 -11.960 -11.029 1.00 50.22 H new ATOM 0 HB3 ARG A 103 -7.709 -12.392 -12.404 1.00 50.22 H new ATOM 0 HG2 ARG A 103 -8.439 -10.271 -13.526 1.00 61.52 H new ATOM 0 HG3 ARG A 103 -9.291 -9.835 -12.058 1.00 61.52 H new ATOM 0 HD2 ARG A 103 -7.218 -9.870 -10.793 1.00 30.21 H new ATOM 0 HD3 ARG A 103 -6.335 -10.439 -12.196 1.00 30.21 H new ATOM 0 HE ARG A 103 -7.800 -7.831 -12.256 1.00 35.23 H new ATOM 0 HH11 ARG A 103 -4.887 -9.768 -12.710 1.00 3.15 H new ATOM 0 HH12 ARG A 103 -3.945 -8.410 -13.334 1.00 3.15 H new ATOM 0 HH21 ARG A 103 -6.628 -6.111 -13.072 1.00 4.34 H new ATOM 0 HH22 ARG A 103 -4.938 -6.331 -13.539 1.00 4.34 H new ATOM 1542 N GLY A 104 -11.029 -14.483 -12.900 1.00 31.12 N ATOM 1543 CA GLY A 104 -11.220 -15.914 -12.943 1.00 72.42 C ATOM 1544 C GLY A 104 -11.528 -16.536 -11.603 1.00 5.43 C ATOM 1545 O GLY A 104 -11.780 -17.740 -11.523 1.00 50.04 O ATOM 0 H GLY A 104 -11.883 -13.941 -13.032 1.00 31.12 H new ATOM 0 HA2 GLY A 104 -12.034 -16.140 -13.632 1.00 72.42 H new ATOM 0 HA3 GLY A 104 -10.321 -16.378 -13.348 1.00 72.42 H new ATOM 1549 N ARG A 105 -11.537 -15.745 -10.556 1.00 3.12 N ATOM 1550 CA ARG A 105 -11.812 -16.279 -9.247 1.00 74.10 C ATOM 1551 C ARG A 105 -12.876 -15.468 -8.534 1.00 63.14 C ATOM 1552 O ARG A 105 -13.085 -14.301 -8.839 1.00 54.33 O ATOM 1553 CB ARG A 105 -10.532 -16.472 -8.426 1.00 24.01 C ATOM 1554 CG ARG A 105 -9.701 -15.228 -8.210 1.00 13.25 C ATOM 1555 CD ARG A 105 -8.375 -15.579 -7.575 1.00 61.53 C ATOM 1556 NE ARG A 105 -7.640 -16.513 -8.429 1.00 5.01 N ATOM 1557 CZ ARG A 105 -6.539 -17.173 -8.105 1.00 12.13 C ATOM 1558 NH1 ARG A 105 -5.911 -16.929 -6.960 1.00 13.12 N ATOM 1559 NH2 ARG A 105 -6.043 -18.050 -8.963 1.00 52.11 N ATOM 0 H ARG A 105 -11.359 -14.741 -10.585 1.00 3.12 H new ATOM 0 HA ARG A 105 -12.228 -17.279 -9.371 1.00 74.10 H new ATOM 0 HB2 ARG A 105 -10.804 -16.879 -7.452 1.00 24.01 H new ATOM 0 HB3 ARG A 105 -9.913 -17.219 -8.922 1.00 24.01 H new ATOM 0 HG2 ARG A 105 -9.533 -14.726 -9.163 1.00 13.25 H new ATOM 0 HG3 ARG A 105 -10.242 -14.529 -7.573 1.00 13.25 H new ATOM 0 HD2 ARG A 105 -7.786 -14.675 -7.421 1.00 61.53 H new ATOM 0 HD3 ARG A 105 -8.539 -16.024 -6.594 1.00 61.53 H new ATOM 0 HE ARG A 105 -8.012 -16.671 -9.365 1.00 5.01 H new ATOM 0 HH11 ARG A 105 -6.276 -16.226 -6.318 1.00 13.12 H new ATOM 0 HH12 ARG A 105 -5.064 -17.445 -6.723 1.00 13.12 H new ATOM 0 HH21 ARG A 105 -6.508 -18.208 -9.857 1.00 52.11 H new ATOM 0 HH22 ARG A 105 -5.195 -18.568 -8.730 1.00 52.11 H new ATOM 1573 N THR A 106 -13.558 -16.097 -7.619 1.00 15.03 N ATOM 1574 CA THR A 106 -14.677 -15.496 -6.933 1.00 0.22 C ATOM 1575 C THR A 106 -14.211 -14.637 -5.759 1.00 5.43 C ATOM 1576 O THR A 106 -13.621 -15.153 -4.827 1.00 62.53 O ATOM 1577 CB THR A 106 -15.602 -16.606 -6.432 1.00 1.21 C ATOM 1578 OG1 THR A 106 -16.027 -17.399 -7.557 1.00 71.44 O ATOM 1579 CG2 THR A 106 -16.805 -16.032 -5.722 1.00 34.33 C ATOM 0 H THR A 106 -13.354 -17.051 -7.322 1.00 15.03 H new ATOM 0 HA THR A 106 -15.209 -14.847 -7.628 1.00 0.22 H new ATOM 0 HB THR A 106 -15.059 -17.226 -5.719 1.00 1.21 H new ATOM 0 HG1 THR A 106 -16.620 -18.115 -7.247 1.00 71.44 H new ATOM 0 HG21 THR A 106 -17.445 -16.844 -5.377 1.00 34.33 H new ATOM 0 HG22 THR A 106 -16.475 -15.441 -4.867 1.00 34.33 H new ATOM 0 HG23 THR A 106 -17.364 -15.396 -6.409 1.00 34.33 H new ATOM 1587 N ILE A 107 -14.546 -13.350 -5.775 1.00 62.12 N ATOM 1588 CA ILE A 107 -14.039 -12.431 -4.743 1.00 62.31 C ATOM 1589 C ILE A 107 -15.056 -12.176 -3.670 1.00 62.22 C ATOM 1590 O ILE A 107 -16.198 -12.639 -3.761 1.00 1.23 O ATOM 1591 CB ILE A 107 -13.597 -11.028 -5.303 1.00 32.23 C ATOM 1592 CG1 ILE A 107 -14.793 -10.256 -5.904 1.00 13.32 C ATOM 1593 CG2 ILE A 107 -12.483 -11.164 -6.315 1.00 32.14 C ATOM 1594 CD1 ILE A 107 -14.465 -8.833 -6.370 1.00 42.34 C ATOM 0 H ILE A 107 -15.153 -12.920 -6.473 1.00 62.12 H new ATOM 0 HA ILE A 107 -13.166 -12.945 -4.341 1.00 62.31 H new ATOM 0 HB ILE A 107 -13.216 -10.451 -4.461 1.00 32.23 H new ATOM 0 HG12 ILE A 107 -15.184 -10.820 -6.751 1.00 13.32 H new ATOM 0 HG13 ILE A 107 -15.588 -10.206 -5.159 1.00 13.32 H new ATOM 0 HG21 ILE A 107 -12.202 -10.177 -6.682 1.00 32.14 H new ATOM 0 HG22 ILE A 107 -11.620 -11.636 -5.845 1.00 32.14 H new ATOM 0 HG23 ILE A 107 -12.822 -11.778 -7.149 1.00 32.14 H new ATOM 0 HD11 ILE A 107 -15.363 -8.367 -6.777 1.00 42.34 H new ATOM 0 HD12 ILE A 107 -14.104 -8.247 -5.524 1.00 42.34 H new ATOM 0 HD13 ILE A 107 -13.695 -8.871 -7.140 1.00 42.34 H new ATOM 1606 N LYS A 108 -14.612 -11.489 -2.626 1.00 12.34 N ATOM 1607 CA LYS A 108 -15.470 -11.129 -1.521 1.00 53.24 C ATOM 1608 C LYS A 108 -15.297 -9.645 -1.201 1.00 13.04 C ATOM 1609 O LYS A 108 -14.178 -9.183 -0.993 1.00 62.42 O ATOM 1610 CB LYS A 108 -15.177 -11.981 -0.271 1.00 72.42 C ATOM 1611 CG LYS A 108 -16.136 -11.705 0.889 1.00 52.21 C ATOM 1612 CD LYS A 108 -17.565 -11.951 0.445 1.00 3.34 C ATOM 1613 CE LYS A 108 -18.577 -11.677 1.539 1.00 44.44 C ATOM 1614 NZ LYS A 108 -19.963 -12.019 1.105 1.00 53.44 N ATOM 0 H LYS A 108 -13.648 -11.169 -2.528 1.00 12.34 H new ATOM 0 HA LYS A 108 -16.501 -11.323 -1.815 1.00 53.24 H new ATOM 0 HB2 LYS A 108 -15.235 -13.036 -0.538 1.00 72.42 H new ATOM 0 HB3 LYS A 108 -14.155 -11.791 0.058 1.00 72.42 H new ATOM 0 HG2 LYS A 108 -15.893 -12.348 1.735 1.00 52.21 H new ATOM 0 HG3 LYS A 108 -16.023 -10.675 1.229 1.00 52.21 H new ATOM 0 HD2 LYS A 108 -17.787 -11.319 -0.415 1.00 3.34 H new ATOM 0 HD3 LYS A 108 -17.665 -12.985 0.115 1.00 3.34 H new ATOM 0 HE2 LYS A 108 -18.320 -12.256 2.426 1.00 44.44 H new ATOM 0 HE3 LYS A 108 -18.533 -10.625 1.821 1.00 44.44 H new ATOM 0 HZ1 LYS A 108 -20.647 -11.606 1.771 1.00 53.44 H new ATOM 0 HZ2 LYS A 108 -20.133 -11.637 0.153 1.00 53.44 H new ATOM 0 HZ3 LYS A 108 -20.077 -13.053 1.089 1.00 53.44 H new ATOM 1628 N VAL A 109 -16.401 -8.915 -1.166 1.00 62.24 N ATOM 1629 CA VAL A 109 -16.379 -7.487 -0.891 1.00 0.41 C ATOM 1630 C VAL A 109 -17.360 -7.173 0.240 1.00 21.51 C ATOM 1631 O VAL A 109 -18.507 -7.600 0.194 1.00 74.31 O ATOM 1632 CB VAL A 109 -16.786 -6.636 -2.139 1.00 4.13 C ATOM 1633 CG1 VAL A 109 -16.621 -5.146 -1.869 1.00 10.22 C ATOM 1634 CG2 VAL A 109 -16.004 -7.041 -3.373 1.00 72.15 C ATOM 0 H VAL A 109 -17.334 -9.294 -1.327 1.00 62.24 H new ATOM 0 HA VAL A 109 -15.357 -7.228 -0.615 1.00 0.41 H new ATOM 0 HB VAL A 109 -17.840 -6.835 -2.331 1.00 4.13 H new ATOM 0 HG11 VAL A 109 -16.912 -4.581 -2.755 1.00 10.22 H new ATOM 0 HG12 VAL A 109 -17.254 -4.856 -1.030 1.00 10.22 H new ATOM 0 HG13 VAL A 109 -15.579 -4.933 -1.629 1.00 10.22 H new ATOM 0 HG21 VAL A 109 -16.315 -6.427 -4.218 1.00 72.15 H new ATOM 0 HG22 VAL A 109 -14.939 -6.897 -3.192 1.00 72.15 H new ATOM 0 HG23 VAL A 109 -16.195 -8.091 -3.597 1.00 72.15 H new ATOM 1644 N LEU A 110 -16.906 -6.476 1.243 1.00 3.13 N ATOM 1645 CA LEU A 110 -17.756 -6.000 2.325 1.00 32.31 C ATOM 1646 C LEU A 110 -17.192 -4.687 2.831 1.00 31.02 C ATOM 1647 O LEU A 110 -16.050 -4.395 2.500 1.00 44.15 O ATOM 1648 CB LEU A 110 -18.124 -7.109 3.416 1.00 42.14 C ATOM 1649 CG LEU A 110 -17.085 -7.895 4.243 1.00 42.45 C ATOM 1650 CD1 LEU A 110 -15.792 -8.223 3.562 1.00 75.04 C ATOM 1651 CD2 LEU A 110 -16.933 -7.375 5.649 1.00 22.40 C ATOM 0 H LEU A 110 -15.926 -6.213 1.344 1.00 3.13 H new ATOM 0 HA LEU A 110 -18.756 -5.787 1.948 1.00 32.31 H new ATOM 0 HB2 LEU A 110 -18.777 -6.618 4.138 1.00 42.14 H new ATOM 0 HB3 LEU A 110 -18.726 -7.856 2.898 1.00 42.14 H new ATOM 0 HG LEU A 110 -17.537 -8.883 4.332 1.00 42.45 H new ATOM 0 HD11 LEU A 110 -15.149 -8.775 4.248 1.00 75.04 H new ATOM 0 HD12 LEU A 110 -15.990 -8.832 2.680 1.00 75.04 H new ATOM 0 HD13 LEU A 110 -15.295 -7.301 3.262 1.00 75.04 H new ATOM 0 HD21 LEU A 110 -16.188 -7.970 6.178 1.00 22.40 H new ATOM 0 HD22 LEU A 110 -16.612 -6.334 5.619 1.00 22.40 H new ATOM 0 HD23 LEU A 110 -17.889 -7.445 6.168 1.00 22.40 H new ATOM 1663 N PRO A 111 -17.936 -3.826 3.571 1.00 24.11 N ATOM 1664 CA PRO A 111 -17.377 -2.557 4.006 1.00 54.12 C ATOM 1665 C PRO A 111 -16.278 -2.819 5.018 1.00 23.14 C ATOM 1666 O PRO A 111 -16.324 -3.831 5.715 1.00 54.22 O ATOM 1667 CB PRO A 111 -18.572 -1.827 4.647 1.00 23.11 C ATOM 1668 CG PRO A 111 -19.486 -2.912 5.073 1.00 4.51 C ATOM 1669 CD PRO A 111 -19.311 -4.027 4.077 1.00 20.23 C ATOM 0 HA PRO A 111 -16.930 -1.971 3.203 1.00 54.12 H new ATOM 0 HB2 PRO A 111 -18.257 -1.218 5.494 1.00 23.11 H new ATOM 0 HB3 PRO A 111 -19.056 -1.157 3.936 1.00 23.11 H new ATOM 0 HG2 PRO A 111 -19.245 -3.250 6.081 1.00 4.51 H new ATOM 0 HG3 PRO A 111 -20.519 -2.565 5.091 1.00 4.51 H new ATOM 0 HD2 PRO A 111 -19.428 -5.005 4.545 1.00 20.23 H new ATOM 0 HD3 PRO A 111 -20.047 -3.968 3.275 1.00 20.23 H new ATOM 1677 N LYS A 112 -15.279 -1.959 5.073 1.00 62.15 N ATOM 1678 CA LYS A 112 -14.191 -2.158 6.014 1.00 35.30 C ATOM 1679 C LYS A 112 -14.752 -1.905 7.423 1.00 10.34 C ATOM 1680 O LYS A 112 -14.848 -0.776 7.894 1.00 15.54 O ATOM 1681 CB LYS A 112 -12.968 -1.300 5.616 1.00 5.12 C ATOM 1682 CG LYS A 112 -11.689 -1.538 6.424 1.00 71.45 C ATOM 1683 CD LYS A 112 -10.464 -0.912 5.724 1.00 24.42 C ATOM 1684 CE LYS A 112 -10.603 0.582 5.546 1.00 32.44 C ATOM 1685 NZ LYS A 112 -9.501 1.192 4.750 1.00 34.35 N ATOM 0 H LYS A 112 -15.197 -1.128 4.488 1.00 62.15 H new ATOM 0 HA LYS A 112 -13.806 -3.178 6.001 1.00 35.30 H new ATOM 0 HB2 LYS A 112 -12.749 -1.482 4.564 1.00 5.12 H new ATOM 0 HB3 LYS A 112 -13.241 -0.249 5.707 1.00 5.12 H new ATOM 0 HG2 LYS A 112 -11.800 -1.110 7.420 1.00 71.45 H new ATOM 0 HG3 LYS A 112 -11.530 -2.609 6.552 1.00 71.45 H new ATOM 0 HD2 LYS A 112 -9.568 -1.124 6.308 1.00 24.42 H new ATOM 0 HD3 LYS A 112 -10.328 -1.380 4.749 1.00 24.42 H new ATOM 0 HE2 LYS A 112 -11.554 0.795 5.057 1.00 32.44 H new ATOM 0 HE3 LYS A 112 -10.636 1.055 6.527 1.00 32.44 H new ATOM 0 HZ1 LYS A 112 -9.255 2.119 5.152 1.00 34.35 H new ATOM 0 HZ2 LYS A 112 -8.668 0.570 4.778 1.00 34.35 H new ATOM 0 HZ3 LYS A 112 -9.810 1.313 3.764 1.00 34.35 H new ATOM 2166 N GLY B 21 -8.727 -8.186 8.669 1.00 62.01 N ATOM 2167 CA GLY B 21 -9.803 -8.980 8.116 1.00 5.24 C ATOM 2168 C GLY B 21 -9.358 -10.404 7.928 1.00 71.02 C ATOM 2169 O GLY B 21 -9.359 -11.170 8.899 1.00 43.33 O ATOM 0 HA2 GLY B 21 -10.667 -8.947 8.780 1.00 5.24 H new ATOM 0 HA3 GLY B 21 -10.119 -8.561 7.160 1.00 5.24 H new ATOM 2173 N PRO B 22 -9.007 -10.804 6.679 1.00 54.51 N ATOM 2174 CA PRO B 22 -8.406 -12.108 6.369 1.00 11.04 C ATOM 2175 C PRO B 22 -7.334 -12.570 7.406 1.00 71.23 C ATOM 2176 O PRO B 22 -7.409 -13.704 7.883 1.00 61.33 O ATOM 2177 CB PRO B 22 -7.803 -11.917 4.952 1.00 15.22 C ATOM 2178 CG PRO B 22 -8.099 -10.486 4.588 1.00 65.44 C ATOM 2179 CD PRO B 22 -9.253 -10.070 5.450 1.00 1.33 C ATOM 0 HA PRO B 22 -9.148 -12.905 6.411 1.00 11.04 H new ATOM 0 HB2 PRO B 22 -6.730 -12.110 4.951 1.00 15.22 H new ATOM 0 HB3 PRO B 22 -8.252 -12.606 4.237 1.00 15.22 H new ATOM 0 HG2 PRO B 22 -7.231 -9.851 4.765 1.00 65.44 H new ATOM 0 HG3 PRO B 22 -8.349 -10.396 3.531 1.00 65.44 H new ATOM 0 HD2 PRO B 22 -9.268 -8.993 5.616 1.00 1.33 H new ATOM 0 HD3 PRO B 22 -10.211 -10.337 5.003 1.00 1.33 H new ATOM 2187 N PRO B 23 -6.301 -11.738 7.770 1.00 23.42 N ATOM 2188 CA PRO B 23 -5.396 -12.103 8.822 1.00 31.33 C ATOM 2189 C PRO B 23 -6.003 -11.750 10.166 1.00 21.40 C ATOM 2190 O PRO B 23 -6.386 -10.589 10.410 1.00 1.24 O ATOM 2191 CB PRO B 23 -4.139 -11.252 8.568 1.00 12.40 C ATOM 2192 CG PRO B 23 -4.462 -10.354 7.425 1.00 34.32 C ATOM 2193 CD PRO B 23 -5.942 -10.432 7.207 1.00 12.35 C ATOM 0 HA PRO B 23 -5.176 -13.171 8.834 1.00 31.33 H new ATOM 0 HB2 PRO B 23 -3.876 -10.674 9.454 1.00 12.40 H new ATOM 0 HB3 PRO B 23 -3.283 -11.885 8.335 1.00 12.40 H new ATOM 0 HG2 PRO B 23 -4.158 -9.330 7.642 1.00 34.32 H new ATOM 0 HG3 PRO B 23 -3.924 -10.663 6.529 1.00 34.32 H new ATOM 0 HD2 PRO B 23 -6.466 -9.620 7.711 1.00 12.35 H new ATOM 0 HD3 PRO B 23 -6.196 -10.367 6.149 1.00 12.35 H new ATOM 2201 N GLN B 24 -6.112 -12.742 11.017 1.00 11.14 N ATOM 2202 CA GLN B 24 -6.646 -12.569 12.345 1.00 21.21 C ATOM 2203 C GLN B 24 -5.795 -11.622 13.165 1.00 23.44 C ATOM 2204 O GLN B 24 -4.569 -11.529 12.950 1.00 55.53 O ATOM 2205 CB GLN B 24 -6.818 -13.923 13.039 1.00 61.14 C ATOM 2206 CG GLN B 24 -7.912 -14.772 12.427 1.00 13.41 C ATOM 2207 CD GLN B 24 -9.282 -14.122 12.543 1.00 32.32 C ATOM 2208 OE1 GLN B 24 -9.713 -13.378 11.661 1.00 4.31 O ATOM 2209 NE2 GLN B 24 -9.957 -14.375 13.625 1.00 40.14 N ATOM 0 H GLN B 24 -5.830 -13.699 10.805 1.00 11.14 H new ATOM 0 HA GLN B 24 -7.632 -12.113 12.256 1.00 21.21 H new ATOM 0 HB2 GLN B 24 -5.876 -14.469 12.995 1.00 61.14 H new ATOM 0 HB3 GLN B 24 -7.042 -13.758 14.093 1.00 61.14 H new ATOM 0 HG2 GLN B 24 -7.685 -14.950 11.376 1.00 13.41 H new ATOM 0 HG3 GLN B 24 -7.931 -15.745 12.918 1.00 13.41 H new ATOM 0 HE21 GLN B 24 -9.569 -14.996 14.335 1.00 40.14 H new ATOM 0 HE22 GLN B 24 -10.875 -13.952 13.764 1.00 40.14 H new ATOM 2218 N PRO B 25 -6.428 -10.910 14.111 1.00 64.44 N ATOM 2219 CA PRO B 25 -5.774 -9.894 14.924 1.00 73.24 C ATOM 2220 C PRO B 25 -4.539 -10.414 15.640 1.00 71.35 C ATOM 2221 O PRO B 25 -4.623 -11.265 16.532 1.00 1.34 O ATOM 2222 CB PRO B 25 -6.845 -9.460 15.938 1.00 70.44 C ATOM 2223 CG PRO B 25 -7.907 -10.501 15.860 1.00 2.23 C ATOM 2224 CD PRO B 25 -7.850 -11.054 14.472 1.00 54.44 C ATOM 0 HA PRO B 25 -5.413 -9.073 14.304 1.00 73.24 H new ATOM 0 HB2 PRO B 25 -6.431 -9.396 16.944 1.00 70.44 H new ATOM 0 HB3 PRO B 25 -7.242 -8.475 15.693 1.00 70.44 H new ATOM 0 HG2 PRO B 25 -7.738 -11.285 16.598 1.00 2.23 H new ATOM 0 HG3 PRO B 25 -8.888 -10.073 16.068 1.00 2.23 H new ATOM 0 HD2 PRO B 25 -8.170 -12.095 14.440 1.00 54.44 H new ATOM 0 HD3 PRO B 25 -8.497 -10.501 13.791 1.00 54.44 H new ATOM 2232 N LEU B 26 -3.406 -9.954 15.200 1.00 50.44 N ATOM 2233 CA LEU B 26 -2.161 -10.270 15.827 1.00 13.15 C ATOM 2234 C LEU B 26 -1.674 -9.033 16.548 1.00 2.14 C ATOM 2235 O LEU B 26 -1.963 -7.909 16.102 1.00 65.14 O ATOM 2236 CB LEU B 26 -1.118 -10.913 14.829 1.00 21.42 C ATOM 2237 CG LEU B 26 -0.567 -10.109 13.606 1.00 24.11 C ATOM 2238 CD1 LEU B 26 -1.642 -9.524 12.703 1.00 50.43 C ATOM 2239 CD2 LEU B 26 0.430 -9.072 14.025 1.00 42.53 C ATOM 0 H LEU B 26 -3.321 -9.343 14.388 1.00 50.44 H new ATOM 0 HA LEU B 26 -2.299 -11.058 16.567 1.00 13.15 H new ATOM 0 HB2 LEU B 26 -0.257 -11.220 15.422 1.00 21.42 H new ATOM 0 HB3 LEU B 26 -1.573 -11.821 14.434 1.00 21.42 H new ATOM 0 HG LEU B 26 -0.051 -10.847 12.992 1.00 24.11 H new ATOM 0 HD11 LEU B 26 -1.172 -8.983 11.881 1.00 50.43 H new ATOM 0 HD12 LEU B 26 -2.258 -10.329 12.302 1.00 50.43 H new ATOM 0 HD13 LEU B 26 -2.267 -8.840 13.277 1.00 50.43 H new ATOM 0 HD21 LEU B 26 0.788 -8.536 13.146 1.00 42.53 H new ATOM 0 HD22 LEU B 26 -0.043 -8.369 14.711 1.00 42.53 H new ATOM 0 HD23 LEU B 26 1.271 -9.556 14.523 1.00 42.53 H new ATOM 2251 N SER B 27 -0.967 -9.220 17.643 1.00 75.34 N ATOM 2252 CA SER B 27 -0.608 -8.125 18.528 1.00 41.53 C ATOM 2253 C SER B 27 0.245 -7.065 17.853 1.00 1.21 C ATOM 2254 O SER B 27 1.045 -7.362 16.954 1.00 12.51 O ATOM 2255 CB SER B 27 0.107 -8.666 19.775 1.00 33.42 C ATOM 2256 OG SER B 27 0.543 -7.619 20.630 1.00 40.11 O ATOM 0 H SER B 27 -0.625 -10.132 17.946 1.00 75.34 H new ATOM 0 HA SER B 27 -1.539 -7.638 18.816 1.00 41.53 H new ATOM 0 HB2 SER B 27 -0.566 -9.325 20.322 1.00 33.42 H new ATOM 0 HB3 SER B 27 0.964 -9.267 19.470 1.00 33.42 H new ATOM 0 HG SER B 27 0.992 -8.001 21.413 1.00 40.11 H new ATOM 2262 N ALA B 28 0.023 -5.821 18.276 1.00 25.40 N ATOM 2263 CA ALA B 28 0.837 -4.691 17.870 1.00 73.02 C ATOM 2264 C ALA B 28 2.303 -4.994 18.041 1.00 4.10 C ATOM 2265 O ALA B 28 3.092 -4.584 17.241 1.00 74.32 O ATOM 2266 CB ALA B 28 0.487 -3.431 18.641 1.00 22.23 C ATOM 0 H ALA B 28 -0.733 -5.574 18.914 1.00 25.40 H new ATOM 0 HA ALA B 28 0.625 -4.515 16.815 1.00 73.02 H new ATOM 0 HB1 ALA B 28 1.121 -2.611 18.304 1.00 22.23 H new ATOM 0 HB2 ALA B 28 -0.559 -3.177 18.467 1.00 22.23 H new ATOM 0 HB3 ALA B 28 0.647 -3.600 19.706 1.00 22.23 H new ATOM 2272 N GLU B 29 2.660 -5.750 19.075 1.00 74.21 N ATOM 2273 CA GLU B 29 4.053 -6.093 19.300 1.00 13.11 C ATOM 2274 C GLU B 29 4.606 -6.991 18.203 1.00 2.51 C ATOM 2275 O GLU B 29 5.769 -6.856 17.826 1.00 75.54 O ATOM 2276 CB GLU B 29 4.296 -6.648 20.685 1.00 44.53 C ATOM 2277 CG GLU B 29 4.009 -5.638 21.776 1.00 61.32 C ATOM 2278 CD GLU B 29 4.306 -6.175 23.145 1.00 61.53 C ATOM 2279 OE1 GLU B 29 3.426 -6.768 23.762 1.00 44.41 O ATOM 2280 OE2 GLU B 29 5.432 -6.007 23.630 1.00 25.15 O ATOM 0 H GLU B 29 2.009 -6.131 19.761 1.00 74.21 H new ATOM 0 HA GLU B 29 4.616 -5.161 19.248 1.00 13.11 H new ATOM 0 HB2 GLU B 29 3.669 -7.527 20.835 1.00 44.53 H new ATOM 0 HB3 GLU B 29 5.332 -6.978 20.764 1.00 44.53 H new ATOM 0 HG2 GLU B 29 4.605 -4.742 21.603 1.00 61.32 H new ATOM 0 HG3 GLU B 29 2.962 -5.340 21.725 1.00 61.32 H new ATOM 2287 N GLU B 30 3.770 -7.884 17.670 1.00 32.12 N ATOM 2288 CA GLU B 30 4.158 -8.675 16.503 1.00 11.22 C ATOM 2289 C GLU B 30 4.302 -7.770 15.326 1.00 53.44 C ATOM 2290 O GLU B 30 5.198 -7.951 14.500 1.00 23.02 O ATOM 2291 CB GLU B 30 3.154 -9.789 16.156 1.00 60.43 C ATOM 2292 CG GLU B 30 3.250 -11.051 16.979 1.00 30.04 C ATOM 2293 CD GLU B 30 3.025 -10.853 18.445 1.00 1.42 C ATOM 2294 OE1 GLU B 30 3.985 -10.523 19.158 1.00 3.24 O ATOM 2295 OE2 GLU B 30 1.894 -11.058 18.915 1.00 4.22 O ATOM 0 H GLU B 30 2.832 -8.075 18.023 1.00 32.12 H new ATOM 0 HA GLU B 30 5.101 -9.162 16.752 1.00 11.22 H new ATOM 0 HB2 GLU B 30 2.146 -9.387 16.261 1.00 60.43 H new ATOM 0 HB3 GLU B 30 3.284 -10.053 15.107 1.00 60.43 H new ATOM 0 HG2 GLU B 30 2.520 -11.770 16.606 1.00 30.04 H new ATOM 0 HG3 GLU B 30 4.236 -11.492 16.832 1.00 30.04 H new ATOM 2302 N LYS B 31 3.447 -6.752 15.278 1.00 32.04 N ATOM 2303 CA LYS B 31 3.483 -5.812 14.201 1.00 23.14 C ATOM 2304 C LYS B 31 4.704 -4.963 14.276 1.00 1.34 C ATOM 2305 O LYS B 31 5.298 -4.659 13.266 1.00 51.22 O ATOM 2306 CB LYS B 31 2.227 -4.949 14.092 1.00 41.20 C ATOM 2307 CG LYS B 31 1.014 -5.737 13.692 1.00 62.41 C ATOM 2308 CD LYS B 31 -0.050 -4.863 13.090 1.00 51.41 C ATOM 2309 CE LYS B 31 -1.149 -5.701 12.449 1.00 44.31 C ATOM 2310 NZ LYS B 31 -0.715 -6.259 11.140 1.00 14.41 N ATOM 0 H LYS B 31 2.728 -6.571 15.979 1.00 32.04 H new ATOM 0 HA LYS B 31 3.517 -6.407 13.289 1.00 23.14 H new ATOM 0 HB2 LYS B 31 2.040 -4.464 15.050 1.00 41.20 H new ATOM 0 HB3 LYS B 31 2.398 -4.157 13.362 1.00 41.20 H new ATOM 0 HG2 LYS B 31 1.301 -6.506 12.974 1.00 62.41 H new ATOM 0 HG3 LYS B 31 0.611 -6.250 14.565 1.00 62.41 H new ATOM 0 HD2 LYS B 31 -0.479 -4.223 13.861 1.00 51.41 H new ATOM 0 HD3 LYS B 31 0.394 -4.206 12.342 1.00 51.41 H new ATOM 0 HE2 LYS B 31 -1.425 -6.515 13.119 1.00 44.31 H new ATOM 0 HE3 LYS B 31 -2.039 -5.089 12.308 1.00 44.31 H new ATOM 0 HZ1 LYS B 31 -1.529 -6.694 10.661 1.00 14.41 H new ATOM 0 HZ2 LYS B 31 -0.332 -5.495 10.547 1.00 14.41 H new ATOM 0 HZ3 LYS B 31 0.020 -6.978 11.296 1.00 14.41 H new ATOM 2324 N LYS B 32 5.109 -4.606 15.486 1.00 63.33 N ATOM 2325 CA LYS B 32 6.285 -3.807 15.685 1.00 41.12 C ATOM 2326 C LYS B 32 7.480 -4.495 15.077 1.00 71.45 C ATOM 2327 O LYS B 32 8.205 -3.902 14.321 1.00 41.25 O ATOM 2328 CB LYS B 32 6.557 -3.588 17.191 1.00 42.20 C ATOM 2329 CG LYS B 32 5.402 -2.973 17.999 1.00 71.30 C ATOM 2330 CD LYS B 32 4.925 -1.663 17.427 1.00 74.32 C ATOM 2331 CE LYS B 32 6.024 -0.648 17.419 1.00 54.34 C ATOM 2332 NZ LYS B 32 5.614 0.610 16.772 1.00 22.23 N ATOM 0 H LYS B 32 4.627 -4.866 16.346 1.00 63.33 H new ATOM 0 HA LYS B 32 6.119 -2.842 15.206 1.00 41.12 H new ATOM 0 HB2 LYS B 32 6.816 -4.548 17.637 1.00 42.20 H new ATOM 0 HB3 LYS B 32 7.430 -2.943 17.293 1.00 42.20 H new ATOM 0 HG2 LYS B 32 4.570 -3.676 18.029 1.00 71.30 H new ATOM 0 HG3 LYS B 32 5.726 -2.819 19.028 1.00 71.30 H new ATOM 0 HD2 LYS B 32 4.560 -1.817 16.411 1.00 74.32 H new ATOM 0 HD3 LYS B 32 4.086 -1.290 18.014 1.00 74.32 H new ATOM 0 HE2 LYS B 32 6.335 -0.443 18.443 1.00 54.34 H new ATOM 0 HE3 LYS B 32 6.890 -1.057 16.899 1.00 54.34 H new ATOM 0 HZ1 LYS B 32 6.406 1.284 16.789 1.00 22.23 H new ATOM 0 HZ2 LYS B 32 5.342 0.421 15.786 1.00 22.23 H new ATOM 0 HZ3 LYS B 32 4.804 1.015 17.283 1.00 22.23 H new ATOM 2346 N GLU B 33 7.615 -5.778 15.355 1.00 5.40 N ATOM 2347 CA GLU B 33 8.765 -6.548 14.921 1.00 4.13 C ATOM 2348 C GLU B 33 8.807 -6.682 13.410 1.00 35.53 C ATOM 2349 O GLU B 33 9.832 -6.432 12.784 1.00 64.02 O ATOM 2350 CB GLU B 33 8.755 -7.923 15.578 1.00 44.21 C ATOM 2351 CG GLU B 33 8.825 -7.869 17.090 1.00 44.42 C ATOM 2352 CD GLU B 33 10.079 -7.197 17.569 1.00 12.11 C ATOM 2353 OE1 GLU B 33 11.101 -7.896 17.759 1.00 2.21 O ATOM 2354 OE2 GLU B 33 10.078 -5.968 17.763 1.00 25.13 O ATOM 0 H GLU B 33 6.931 -6.315 15.888 1.00 5.40 H new ATOM 0 HA GLU B 33 9.663 -6.013 15.230 1.00 4.13 H new ATOM 0 HB2 GLU B 33 7.849 -8.452 15.283 1.00 44.21 H new ATOM 0 HB3 GLU B 33 9.599 -8.502 15.203 1.00 44.21 H new ATOM 0 HG2 GLU B 33 7.957 -7.334 17.475 1.00 44.42 H new ATOM 0 HG3 GLU B 33 8.779 -8.881 17.492 1.00 44.42 H new ATOM 2361 N ILE B 34 7.683 -7.045 12.838 1.00 63.40 N ATOM 2362 CA ILE B 34 7.594 -7.244 11.404 1.00 2.12 C ATOM 2363 C ILE B 34 7.670 -5.918 10.629 1.00 52.54 C ATOM 2364 O ILE B 34 8.288 -5.848 9.570 1.00 2.11 O ATOM 2365 CB ILE B 34 6.368 -8.111 10.981 1.00 14.22 C ATOM 2366 CG1 ILE B 34 5.049 -7.484 11.457 1.00 21.14 C ATOM 2367 CG2 ILE B 34 6.522 -9.533 11.519 1.00 71.24 C ATOM 2368 CD1 ILE B 34 3.814 -8.333 11.189 1.00 12.34 C ATOM 0 H ILE B 34 6.812 -7.210 13.343 1.00 63.40 H new ATOM 0 HA ILE B 34 8.475 -7.823 11.125 1.00 2.12 H new ATOM 0 HB ILE B 34 6.335 -8.150 9.892 1.00 14.22 H new ATOM 0 HG12 ILE B 34 5.118 -7.293 12.528 1.00 21.14 H new ATOM 0 HG13 ILE B 34 4.923 -6.518 10.968 1.00 21.14 H new ATOM 0 HG21 ILE B 34 5.661 -10.131 11.219 1.00 71.24 H new ATOM 0 HG22 ILE B 34 7.432 -9.978 11.116 1.00 71.24 H new ATOM 0 HG23 ILE B 34 6.583 -9.506 12.607 1.00 71.24 H new ATOM 0 HD11 ILE B 34 2.929 -7.814 11.557 1.00 12.34 H new ATOM 0 HD12 ILE B 34 3.715 -8.503 10.117 1.00 12.34 H new ATOM 0 HD13 ILE B 34 3.913 -9.290 11.701 1.00 12.34 H new ATOM 2380 N ASP B 35 7.086 -4.860 11.188 1.00 4.41 N ATOM 2381 CA ASP B 35 7.092 -3.546 10.534 1.00 42.24 C ATOM 2382 C ASP B 35 8.434 -2.825 10.650 1.00 75.52 C ATOM 2383 O ASP B 35 8.723 -1.928 9.869 1.00 30.44 O ATOM 2384 CB ASP B 35 5.913 -2.644 10.953 1.00 45.22 C ATOM 2385 CG ASP B 35 4.570 -3.099 10.373 1.00 13.11 C ATOM 2386 OD1 ASP B 35 4.387 -3.020 9.152 1.00 41.41 O ATOM 2387 OD2 ASP B 35 3.675 -3.493 11.129 1.00 62.51 O ATOM 0 H ASP B 35 6.604 -4.883 12.087 1.00 4.41 H new ATOM 0 HA ASP B 35 6.945 -3.761 9.476 1.00 42.24 H new ATOM 0 HB2 ASP B 35 5.845 -2.628 12.041 1.00 45.22 H new ATOM 0 HB3 ASP B 35 6.113 -1.622 10.631 1.00 45.22 H new ATOM 2392 N LYS B 36 9.258 -3.226 11.623 1.00 54.02 N ATOM 2393 CA LYS B 36 10.637 -2.675 11.755 1.00 22.53 C ATOM 2394 C LYS B 36 11.473 -3.117 10.583 1.00 4.22 C ATOM 2395 O LYS B 36 12.453 -2.478 10.210 1.00 73.43 O ATOM 2396 CB LYS B 36 11.336 -3.197 13.010 1.00 22.11 C ATOM 2397 CG LYS B 36 10.816 -2.688 14.315 1.00 32.53 C ATOM 2398 CD LYS B 36 11.462 -3.440 15.451 1.00 53.14 C ATOM 2399 CE LYS B 36 10.991 -2.936 16.781 1.00 60.14 C ATOM 2400 NZ LYS B 36 11.547 -3.731 17.891 1.00 12.44 N ATOM 0 H LYS B 36 9.012 -3.920 12.329 1.00 54.02 H new ATOM 0 HA LYS B 36 10.543 -1.590 11.804 1.00 22.53 H new ATOM 0 HB2 LYS B 36 11.266 -4.285 13.014 1.00 22.11 H new ATOM 0 HB3 LYS B 36 12.395 -2.946 12.942 1.00 22.11 H new ATOM 0 HG2 LYS B 36 11.023 -1.622 14.408 1.00 32.53 H new ATOM 0 HG3 LYS B 36 9.733 -2.807 14.357 1.00 32.53 H new ATOM 0 HD2 LYS B 36 11.234 -4.502 15.362 1.00 53.14 H new ATOM 0 HD3 LYS B 36 12.545 -3.340 15.386 1.00 53.14 H new ATOM 0 HE2 LYS B 36 11.282 -1.892 16.899 1.00 60.14 H new ATOM 0 HE3 LYS B 36 9.902 -2.969 16.819 1.00 60.14 H new ATOM 0 HZ1 LYS B 36 11.493 -3.182 18.773 1.00 12.44 H new ATOM 0 HZ2 LYS B 36 11.001 -4.610 17.996 1.00 12.44 H new ATOM 0 HZ3 LYS B 36 12.540 -3.963 17.688 1.00 12.44 H new ATOM 2414 N ARG B 37 11.074 -4.213 10.019 1.00 35.21 N ATOM 2415 CA ARG B 37 11.789 -4.856 8.959 1.00 42.01 C ATOM 2416 C ARG B 37 11.171 -4.467 7.630 1.00 22.41 C ATOM 2417 O ARG B 37 11.446 -5.054 6.603 1.00 62.31 O ATOM 2418 CB ARG B 37 11.706 -6.349 9.201 1.00 12.11 C ATOM 2419 CG ARG B 37 12.219 -6.720 10.579 1.00 50.04 C ATOM 2420 CD ARG B 37 11.997 -8.166 10.912 1.00 52.14 C ATOM 2421 NE ARG B 37 12.462 -8.470 12.266 1.00 64.03 N ATOM 2422 CZ ARG B 37 12.487 -9.681 12.814 1.00 42.04 C ATOM 2423 NH1 ARG B 37 12.108 -10.749 12.106 1.00 31.45 N ATOM 2424 NH2 ARG B 37 12.908 -9.834 14.065 1.00 22.32 N ATOM 0 H ARG B 37 10.219 -4.699 10.289 1.00 35.21 H new ATOM 0 HA ARG B 37 12.835 -4.552 8.933 1.00 42.01 H new ATOM 0 HB2 ARG B 37 10.672 -6.678 9.096 1.00 12.11 H new ATOM 0 HB3 ARG B 37 12.286 -6.874 8.442 1.00 12.11 H new ATOM 0 HG2 ARG B 37 13.285 -6.498 10.637 1.00 50.04 H new ATOM 0 HG3 ARG B 37 11.723 -6.100 11.326 1.00 50.04 H new ATOM 0 HD2 ARG B 37 10.937 -8.404 10.826 1.00 52.14 H new ATOM 0 HD3 ARG B 37 12.524 -8.793 10.193 1.00 52.14 H new ATOM 0 HE ARG B 37 12.793 -7.691 12.835 1.00 64.03 H new ATOM 0 HH11 ARG B 37 11.798 -10.637 11.141 1.00 31.45 H new ATOM 0 HH12 ARG B 37 12.129 -11.676 12.531 1.00 31.45 H new ATOM 0 HH21 ARG B 37 13.212 -9.023 14.604 1.00 22.32 H new ATOM 0 HH22 ARG B 37 12.928 -10.763 14.487 1.00 22.32 H new ATOM 2438 N SER B 38 10.355 -3.459 7.678 1.00 14.44 N ATOM 2439 CA SER B 38 9.691 -2.953 6.527 1.00 30.21 C ATOM 2440 C SER B 38 10.295 -1.614 6.105 1.00 1.03 C ATOM 2441 O SER B 38 11.073 -0.998 6.848 1.00 53.54 O ATOM 2442 CB SER B 38 8.200 -2.810 6.828 1.00 54.41 C ATOM 2443 OG SER B 38 7.495 -2.270 5.728 1.00 65.43 O ATOM 0 H SER B 38 10.131 -2.958 8.538 1.00 14.44 H new ATOM 0 HA SER B 38 9.820 -3.649 5.698 1.00 30.21 H new ATOM 0 HB2 SER B 38 7.785 -3.785 7.083 1.00 54.41 H new ATOM 0 HB3 SER B 38 8.064 -2.168 7.698 1.00 54.41 H new ATOM 0 HG SER B 38 6.591 -2.647 5.702 1.00 65.43 H new ATOM 2449 N VAL B 39 9.910 -1.165 4.942 1.00 64.10 N ATOM 2450 CA VAL B 39 10.378 0.064 4.370 1.00 42.41 C ATOM 2451 C VAL B 39 9.224 0.840 3.784 1.00 63.51 C ATOM 2452 O VAL B 39 8.141 0.302 3.561 1.00 65.23 O ATOM 2453 CB VAL B 39 11.457 -0.138 3.254 1.00 32.22 C ATOM 2454 CG1 VAL B 39 12.718 -0.767 3.798 1.00 23.24 C ATOM 2455 CG2 VAL B 39 10.910 -0.957 2.099 1.00 52.35 C ATOM 0 H VAL B 39 9.243 -1.660 4.350 1.00 64.10 H new ATOM 0 HA VAL B 39 10.846 0.613 5.187 1.00 42.41 H new ATOM 0 HB VAL B 39 11.714 0.853 2.880 1.00 32.22 H new ATOM 0 HG11 VAL B 39 13.441 -0.890 2.991 1.00 23.24 H new ATOM 0 HG12 VAL B 39 13.141 -0.124 4.570 1.00 23.24 H new ATOM 0 HG13 VAL B 39 12.483 -1.742 4.226 1.00 23.24 H new ATOM 0 HG21 VAL B 39 11.684 -1.079 1.341 1.00 52.35 H new ATOM 0 HG22 VAL B 39 10.600 -1.937 2.462 1.00 52.35 H new ATOM 0 HG23 VAL B 39 10.053 -0.444 1.663 1.00 52.35 H new ATOM 2465 N TYR B 40 9.470 2.072 3.535 1.00 31.30 N ATOM 2466 CA TYR B 40 8.554 2.946 2.878 1.00 33.00 C ATOM 2467 C TYR B 40 9.106 3.249 1.523 1.00 72.35 C ATOM 2468 O TYR B 40 10.254 3.667 1.401 1.00 75.14 O ATOM 2469 CB TYR B 40 8.348 4.259 3.663 1.00 42.11 C ATOM 2470 CG TYR B 40 7.787 5.399 2.802 1.00 55.03 C ATOM 2471 CD1 TYR B 40 6.433 5.528 2.526 1.00 10.50 C ATOM 2472 CD2 TYR B 40 8.654 6.330 2.245 1.00 35.21 C ATOM 2473 CE1 TYR B 40 5.974 6.563 1.719 1.00 42.34 C ATOM 2474 CE2 TYR B 40 8.221 7.347 1.451 1.00 73.21 C ATOM 2475 CZ TYR B 40 6.883 7.470 1.184 1.00 51.34 C ATOM 2476 OH TYR B 40 6.447 8.502 0.372 1.00 42.14 O ATOM 0 H TYR B 40 10.348 2.524 3.791 1.00 31.30 H new ATOM 0 HA TYR B 40 7.582 2.458 2.809 1.00 33.00 H new ATOM 0 HB2 TYR B 40 7.669 4.074 4.496 1.00 42.11 H new ATOM 0 HB3 TYR B 40 9.300 4.571 4.092 1.00 42.11 H new ATOM 0 HD1 TYR B 40 5.731 4.820 2.941 1.00 10.50 H new ATOM 0 HD2 TYR B 40 9.711 6.244 2.449 1.00 35.21 H new ATOM 0 HE1 TYR B 40 4.919 6.662 1.509 1.00 42.34 H new ATOM 0 HE2 TYR B 40 8.926 8.051 1.035 1.00 73.21 H new ATOM 0 HH TYR B 40 7.220 8.992 0.023 1.00 42.14 H new ATOM 2486 N VAL B 41 8.325 3.015 0.529 1.00 23.23 N ATOM 2487 CA VAL B 41 8.671 3.308 -0.824 1.00 53.45 C ATOM 2488 C VAL B 41 7.709 4.360 -1.325 1.00 13.40 C ATOM 2489 O VAL B 41 6.511 4.105 -1.450 1.00 75.25 O ATOM 2490 CB VAL B 41 8.522 2.047 -1.682 1.00 10.01 C ATOM 2491 CG1 VAL B 41 8.912 2.313 -3.133 1.00 22.15 C ATOM 2492 CG2 VAL B 41 9.340 0.918 -1.099 1.00 65.41 C ATOM 0 H VAL B 41 7.398 2.602 0.634 1.00 23.23 H new ATOM 0 HA VAL B 41 9.701 3.658 -0.884 1.00 53.45 H new ATOM 0 HB VAL B 41 7.472 1.753 -1.676 1.00 10.01 H new ATOM 0 HG11 VAL B 41 8.795 1.399 -3.715 1.00 22.15 H new ATOM 0 HG12 VAL B 41 8.269 3.090 -3.546 1.00 22.15 H new ATOM 0 HG13 VAL B 41 9.951 2.640 -3.176 1.00 22.15 H new ATOM 0 HG21 VAL B 41 9.225 0.028 -1.718 1.00 65.41 H new ATOM 0 HG22 VAL B 41 10.391 1.207 -1.070 1.00 65.41 H new ATOM 0 HG23 VAL B 41 8.995 0.703 -0.088 1.00 65.41 H new ATOM 2502 N GLY B 42 8.199 5.529 -1.575 1.00 1.14 N ATOM 2503 CA GLY B 42 7.344 6.584 -1.995 1.00 24.41 C ATOM 2504 C GLY B 42 7.476 6.914 -3.441 1.00 43.35 C ATOM 2505 O GLY B 42 8.454 6.549 -4.077 1.00 74.21 O ATOM 0 H GLY B 42 9.186 5.776 -1.495 1.00 1.14 H new ATOM 0 HA2 GLY B 42 6.310 6.309 -1.786 1.00 24.41 H new ATOM 0 HA3 GLY B 42 7.562 7.475 -1.406 1.00 24.41 H new ATOM 2509 N ASN B 43 6.475 7.626 -3.934 1.00 30.03 N ATOM 2510 CA ASN B 43 6.354 8.103 -5.321 1.00 2.11 C ATOM 2511 C ASN B 43 6.425 6.944 -6.369 1.00 2.30 C ATOM 2512 O ASN B 43 6.710 7.159 -7.544 1.00 21.00 O ATOM 2513 CB ASN B 43 7.387 9.240 -5.571 1.00 52.53 C ATOM 2514 CG ASN B 43 7.122 10.070 -6.831 1.00 42.52 C ATOM 2515 OD1 ASN B 43 6.340 11.009 -6.800 1.00 34.13 O ATOM 2516 ND2 ASN B 43 7.813 9.801 -7.889 1.00 23.14 N ATOM 0 H ASN B 43 5.681 7.906 -3.357 1.00 30.03 H new ATOM 0 HA ASN B 43 5.358 8.524 -5.462 1.00 2.11 H new ATOM 0 HB2 ASN B 43 7.393 9.905 -4.707 1.00 52.53 H new ATOM 0 HB3 ASN B 43 8.382 8.801 -5.642 1.00 52.53 H new ATOM 0 HD21 ASN B 43 7.713 10.378 -8.724 1.00 23.14 H new ATOM 0 HD22 ASN B 43 8.459 9.012 -7.889 1.00 23.14 H new ATOM 2523 N VAL B 44 6.109 5.721 -5.920 1.00 55.11 N ATOM 2524 CA VAL B 44 6.009 4.549 -6.813 1.00 72.10 C ATOM 2525 C VAL B 44 4.990 4.834 -7.891 1.00 33.41 C ATOM 2526 O VAL B 44 3.917 5.403 -7.625 1.00 73.11 O ATOM 2527 CB VAL B 44 5.669 3.225 -6.032 1.00 73.21 C ATOM 2528 CG1 VAL B 44 4.334 3.297 -5.315 1.00 11.21 C ATOM 2529 CG2 VAL B 44 5.720 2.016 -6.952 1.00 35.12 C ATOM 0 H VAL B 44 5.917 5.513 -4.940 1.00 55.11 H new ATOM 0 HA VAL B 44 6.984 4.382 -7.271 1.00 72.10 H new ATOM 0 HB VAL B 44 6.437 3.112 -5.267 1.00 73.21 H new ATOM 0 HG11 VAL B 44 4.150 2.358 -4.793 1.00 11.21 H new ATOM 0 HG12 VAL B 44 4.351 4.115 -4.595 1.00 11.21 H new ATOM 0 HG13 VAL B 44 3.540 3.470 -6.041 1.00 11.21 H new ATOM 0 HG21 VAL B 44 5.481 1.117 -6.385 1.00 35.12 H new ATOM 0 HG22 VAL B 44 4.996 2.140 -7.757 1.00 35.12 H new ATOM 0 HG23 VAL B 44 6.720 1.923 -7.375 1.00 35.12 H new ATOM 2539 N ASP B 45 5.348 4.508 -9.113 1.00 64.14 N ATOM 2540 CA ASP B 45 4.505 4.768 -10.241 1.00 20.33 C ATOM 2541 C ASP B 45 3.261 3.919 -10.133 1.00 32.54 C ATOM 2542 O ASP B 45 3.331 2.762 -9.711 1.00 31.31 O ATOM 2543 CB ASP B 45 5.251 4.484 -11.549 1.00 3.34 C ATOM 2544 CG ASP B 45 4.455 4.883 -12.767 1.00 1.34 C ATOM 2545 OD1 ASP B 45 4.527 6.052 -13.167 1.00 0.44 O ATOM 2546 OD2 ASP B 45 3.731 4.040 -13.321 1.00 32.23 O ATOM 0 H ASP B 45 6.232 4.056 -9.345 1.00 64.14 H new ATOM 0 HA ASP B 45 4.220 5.820 -10.247 1.00 20.33 H new ATOM 0 HB2 ASP B 45 6.199 5.022 -11.547 1.00 3.34 H new ATOM 0 HB3 ASP B 45 5.487 3.421 -11.605 1.00 3.34 H new ATOM 2551 N TYR B 46 2.135 4.490 -10.512 1.00 62.03 N ATOM 2552 CA TYR B 46 0.826 3.835 -10.403 1.00 14.02 C ATOM 2553 C TYR B 46 0.781 2.583 -11.329 1.00 65.23 C ATOM 2554 O TYR B 46 -0.130 1.749 -11.247 1.00 15.14 O ATOM 2555 CB TYR B 46 -0.292 4.867 -10.752 1.00 31.55 C ATOM 2556 CG TYR B 46 -1.722 4.477 -10.362 1.00 34.32 C ATOM 2557 CD1 TYR B 46 -2.234 4.809 -9.105 1.00 13.04 C ATOM 2558 CD2 TYR B 46 -2.554 3.798 -11.238 1.00 33.23 C ATOM 2559 CE1 TYR B 46 -3.529 4.469 -8.743 1.00 13.32 C ATOM 2560 CE2 TYR B 46 -3.843 3.459 -10.871 1.00 5.13 C ATOM 2561 CZ TYR B 46 -4.322 3.791 -9.633 1.00 70.32 C ATOM 2562 OH TYR B 46 -5.604 3.428 -9.291 1.00 21.13 O ATOM 0 H TYR B 46 2.092 5.429 -10.909 1.00 62.03 H new ATOM 0 HA TYR B 46 0.658 3.488 -9.383 1.00 14.02 H new ATOM 0 HB2 TYR B 46 -0.050 5.811 -10.265 1.00 31.55 H new ATOM 0 HB3 TYR B 46 -0.268 5.047 -11.827 1.00 31.55 H new ATOM 0 HD1 TYR B 46 -1.610 5.340 -8.402 1.00 13.04 H new ATOM 0 HD2 TYR B 46 -2.191 3.530 -12.219 1.00 33.23 H new ATOM 0 HE1 TYR B 46 -3.910 4.736 -7.768 1.00 13.32 H new ATOM 0 HE2 TYR B 46 -4.476 2.928 -11.566 1.00 5.13 H new ATOM 0 HH TYR B 46 -6.127 4.231 -9.085 1.00 21.13 H new ATOM 2572 N GLY B 47 1.792 2.463 -12.186 1.00 3.43 N ATOM 2573 CA GLY B 47 1.919 1.347 -13.070 1.00 54.12 C ATOM 2574 C GLY B 47 2.806 0.239 -12.509 1.00 43.22 C ATOM 2575 O GLY B 47 2.848 -0.856 -13.077 1.00 12.42 O ATOM 0 H GLY B 47 2.541 3.150 -12.274 1.00 3.43 H new ATOM 0 HA2 GLY B 47 0.929 0.941 -13.279 1.00 54.12 H new ATOM 0 HA3 GLY B 47 2.330 1.688 -14.020 1.00 54.12 H new ATOM 2579 N SER B 48 3.520 0.485 -11.399 1.00 1.34 N ATOM 2580 CA SER B 48 4.301 -0.581 -10.822 1.00 44.52 C ATOM 2581 C SER B 48 3.572 -1.225 -9.686 1.00 53.23 C ATOM 2582 O SER B 48 3.767 -0.874 -8.524 1.00 2.35 O ATOM 2583 CB SER B 48 5.706 -0.170 -10.401 1.00 33.55 C ATOM 2584 OG SER B 48 6.578 -0.016 -11.506 1.00 22.43 O ATOM 0 H SER B 48 3.564 1.380 -10.911 1.00 1.34 H new ATOM 0 HA SER B 48 4.435 -1.309 -11.622 1.00 44.52 H new ATOM 0 HB2 SER B 48 5.657 0.768 -9.847 1.00 33.55 H new ATOM 0 HB3 SER B 48 6.113 -0.920 -9.722 1.00 33.55 H new ATOM 0 HG SER B 48 6.951 -0.888 -11.752 1.00 22.43 H new ATOM 2590 N THR B 49 2.653 -2.088 -10.022 1.00 14.41 N ATOM 2591 CA THR B 49 1.933 -2.846 -9.080 1.00 14.21 C ATOM 2592 C THR B 49 2.763 -3.922 -8.402 1.00 62.52 C ATOM 2593 O THR B 49 3.961 -4.069 -8.678 1.00 75.11 O ATOM 2594 CB THR B 49 0.647 -3.363 -9.681 1.00 3.32 C ATOM 2595 OG1 THR B 49 0.924 -3.977 -10.936 1.00 64.52 O ATOM 2596 CG2 THR B 49 -0.298 -2.201 -9.886 1.00 14.43 C ATOM 0 H THR B 49 2.389 -2.276 -10.989 1.00 14.41 H new ATOM 0 HA THR B 49 1.662 -2.174 -8.266 1.00 14.21 H new ATOM 0 HB THR B 49 0.194 -4.096 -9.014 1.00 3.32 H new ATOM 0 HG1 THR B 49 0.651 -4.918 -10.907 1.00 64.52 H new ATOM 0 HG21 THR B 49 -1.230 -2.562 -10.320 1.00 14.43 H new ATOM 0 HG22 THR B 49 -0.504 -1.726 -8.927 1.00 14.43 H new ATOM 0 HG23 THR B 49 0.158 -1.475 -10.560 1.00 14.43 H new ATOM 2604 N ALA B 50 2.112 -4.687 -7.551 1.00 50.32 N ATOM 2605 CA ALA B 50 2.747 -5.534 -6.572 1.00 60.31 C ATOM 2606 C ALA B 50 3.839 -6.466 -7.128 1.00 65.11 C ATOM 2607 O ALA B 50 4.942 -6.472 -6.614 1.00 53.04 O ATOM 2608 CB ALA B 50 1.657 -6.333 -5.883 1.00 3.34 C ATOM 0 H ALA B 50 1.094 -4.736 -7.523 1.00 50.32 H new ATOM 0 HA ALA B 50 3.281 -4.887 -5.876 1.00 60.31 H new ATOM 0 HB1 ALA B 50 2.103 -6.987 -5.134 1.00 3.34 H new ATOM 0 HB2 ALA B 50 0.957 -5.652 -5.400 1.00 3.34 H new ATOM 0 HB3 ALA B 50 1.126 -6.936 -6.620 1.00 3.34 H new ATOM 2614 N GLN B 51 3.529 -7.221 -8.174 1.00 60.12 N ATOM 2615 CA GLN B 51 4.486 -8.188 -8.744 1.00 10.13 C ATOM 2616 C GLN B 51 5.802 -7.528 -9.202 1.00 11.52 C ATOM 2617 O GLN B 51 6.902 -7.954 -8.790 1.00 40.10 O ATOM 2618 CB GLN B 51 3.845 -8.929 -9.916 1.00 12.25 C ATOM 2619 CG GLN B 51 4.670 -10.088 -10.440 1.00 61.41 C ATOM 2620 CD GLN B 51 4.056 -10.739 -11.647 1.00 31.03 C ATOM 2621 OE1 GLN B 51 3.227 -11.637 -11.527 1.00 64.33 O ATOM 2622 NE2 GLN B 51 4.501 -10.365 -12.803 1.00 45.20 N ATOM 0 H GLN B 51 2.628 -7.190 -8.651 1.00 60.12 H new ATOM 0 HA GLN B 51 4.738 -8.890 -7.949 1.00 10.13 H new ATOM 0 HB2 GLN B 51 2.869 -9.302 -9.606 1.00 12.25 H new ATOM 0 HB3 GLN B 51 3.673 -8.223 -10.728 1.00 12.25 H new ATOM 0 HG2 GLN B 51 5.669 -9.732 -10.693 1.00 61.41 H new ATOM 0 HG3 GLN B 51 4.787 -10.831 -9.651 1.00 61.41 H new ATOM 0 HE21 GLN B 51 5.190 -9.615 -12.866 1.00 45.20 H new ATOM 0 HE22 GLN B 51 4.163 -10.820 -13.651 1.00 45.20 H new ATOM 2631 N ASP B 52 5.682 -6.512 -10.031 1.00 50.01 N ATOM 2632 CA ASP B 52 6.845 -5.785 -10.559 1.00 24.24 C ATOM 2633 C ASP B 52 7.612 -5.096 -9.440 1.00 4.43 C ATOM 2634 O ASP B 52 8.865 -5.122 -9.390 1.00 11.22 O ATOM 2635 CB ASP B 52 6.392 -4.760 -11.620 1.00 12.53 C ATOM 2636 CG ASP B 52 7.522 -3.918 -12.186 1.00 11.14 C ATOM 2637 OD1 ASP B 52 8.409 -4.478 -12.872 1.00 54.32 O ATOM 2638 OD2 ASP B 52 7.538 -2.669 -11.970 1.00 4.30 O ATOM 0 H ASP B 52 4.785 -6.159 -10.364 1.00 50.01 H new ATOM 0 HA ASP B 52 7.516 -6.504 -11.029 1.00 24.24 H new ATOM 0 HB2 ASP B 52 5.903 -5.290 -12.437 1.00 12.53 H new ATOM 0 HB3 ASP B 52 5.647 -4.099 -11.177 1.00 12.53 H new ATOM 2643 N LEU B 53 6.866 -4.537 -8.525 1.00 71.14 N ATOM 2644 CA LEU B 53 7.411 -3.791 -7.422 1.00 51.42 C ATOM 2645 C LEU B 53 8.173 -4.754 -6.480 1.00 62.15 C ATOM 2646 O LEU B 53 9.325 -4.475 -6.090 1.00 60.33 O ATOM 2647 CB LEU B 53 6.236 -3.109 -6.693 1.00 30.12 C ATOM 2648 CG LEU B 53 6.508 -1.871 -5.813 1.00 64.55 C ATOM 2649 CD1 LEU B 53 5.204 -1.387 -5.208 1.00 51.34 C ATOM 2650 CD2 LEU B 53 7.534 -2.132 -4.725 1.00 74.13 C ATOM 0 H LEU B 53 5.847 -4.588 -8.525 1.00 71.14 H new ATOM 0 HA LEU B 53 8.115 -3.033 -7.764 1.00 51.42 H new ATOM 0 HB2 LEU B 53 5.506 -2.819 -7.449 1.00 30.12 H new ATOM 0 HB3 LEU B 53 5.761 -3.861 -6.063 1.00 30.12 H new ATOM 0 HG LEU B 53 6.932 -1.099 -6.455 1.00 64.55 H new ATOM 0 HD11 LEU B 53 5.394 -0.512 -4.586 1.00 51.34 H new ATOM 0 HD12 LEU B 53 4.510 -1.121 -6.005 1.00 51.34 H new ATOM 0 HD13 LEU B 53 4.770 -2.179 -4.598 1.00 51.34 H new ATOM 0 HD21 LEU B 53 7.683 -1.225 -4.140 1.00 74.13 H new ATOM 0 HD22 LEU B 53 7.178 -2.930 -4.073 1.00 74.13 H new ATOM 0 HD23 LEU B 53 8.479 -2.429 -5.180 1.00 74.13 H new ATOM 2662 N GLU B 54 7.549 -5.898 -6.149 1.00 20.43 N ATOM 2663 CA GLU B 54 8.148 -6.889 -5.257 1.00 61.31 C ATOM 2664 C GLU B 54 9.459 -7.388 -5.793 1.00 62.21 C ATOM 2665 O GLU B 54 10.433 -7.409 -5.082 1.00 33.52 O ATOM 2666 CB GLU B 54 7.232 -8.094 -5.116 1.00 44.43 C ATOM 2667 CG GLU B 54 7.767 -9.154 -4.158 1.00 33.41 C ATOM 2668 CD GLU B 54 7.009 -10.430 -4.205 1.00 45.05 C ATOM 2669 OE1 GLU B 54 5.976 -10.544 -3.555 1.00 22.54 O ATOM 2670 OE2 GLU B 54 7.425 -11.358 -4.940 1.00 52.14 O ATOM 0 H GLU B 54 6.623 -6.154 -6.492 1.00 20.43 H new ATOM 0 HA GLU B 54 8.301 -6.398 -4.296 1.00 61.31 H new ATOM 0 HB2 GLU B 54 6.255 -7.759 -4.767 1.00 44.43 H new ATOM 0 HB3 GLU B 54 7.083 -8.544 -6.097 1.00 44.43 H new ATOM 0 HG2 GLU B 54 8.812 -9.352 -4.395 1.00 33.41 H new ATOM 0 HG3 GLU B 54 7.739 -8.761 -3.142 1.00 33.41 H new ATOM 2677 N ALA B 55 9.479 -7.760 -7.068 1.00 51.11 N ATOM 2678 CA ALA B 55 10.686 -8.297 -7.699 1.00 74.42 C ATOM 2679 C ALA B 55 11.848 -7.328 -7.551 1.00 74.31 C ATOM 2680 O ALA B 55 13.010 -7.733 -7.272 1.00 72.11 O ATOM 2681 CB ALA B 55 10.425 -8.589 -9.171 1.00 64.22 C ATOM 0 H ALA B 55 8.672 -7.701 -7.689 1.00 51.11 H new ATOM 0 HA ALA B 55 10.951 -9.228 -7.197 1.00 74.42 H new ATOM 0 HB1 ALA B 55 11.330 -8.988 -9.629 1.00 64.22 H new ATOM 0 HB2 ALA B 55 9.621 -9.320 -9.260 1.00 64.22 H new ATOM 0 HB3 ALA B 55 10.137 -7.669 -9.679 1.00 64.22 H new ATOM 2687 N HIS B 56 11.530 -6.052 -7.654 1.00 54.51 N ATOM 2688 CA HIS B 56 12.532 -5.014 -7.567 1.00 72.25 C ATOM 2689 C HIS B 56 13.162 -4.996 -6.155 1.00 41.13 C ATOM 2690 O HIS B 56 14.366 -4.826 -6.011 1.00 30.31 O ATOM 2691 CB HIS B 56 11.929 -3.650 -7.942 1.00 13.42 C ATOM 2692 CG HIS B 56 12.935 -2.541 -8.082 1.00 71.34 C ATOM 2693 ND1 HIS B 56 13.444 -2.140 -9.298 1.00 74.43 N ATOM 2694 CD2 HIS B 56 13.499 -1.732 -7.166 1.00 71.33 C ATOM 2695 CE1 HIS B 56 14.274 -1.143 -9.117 1.00 50.50 C ATOM 2696 NE2 HIS B 56 14.327 -0.874 -7.834 1.00 21.33 N ATOM 0 H HIS B 56 10.580 -5.711 -7.799 1.00 54.51 H new ATOM 0 HA HIS B 56 13.327 -5.226 -8.282 1.00 72.25 H new ATOM 0 HB2 HIS B 56 11.387 -3.753 -8.882 1.00 13.42 H new ATOM 0 HB3 HIS B 56 11.200 -3.368 -7.183 1.00 13.42 H new ATOM 0 HD2 HIS B 56 13.329 -1.756 -6.100 1.00 71.33 H new ATOM 0 HE1 HIS B 56 14.822 -0.629 -9.893 1.00 50.50 H new ATOM 0 HE2 HIS B 56 14.894 -0.143 -7.405 1.00 21.33 H new ATOM 2705 N PHE B 57 12.342 -5.170 -5.137 1.00 20.43 N ATOM 2706 CA PHE B 57 12.825 -5.236 -3.755 1.00 22.12 C ATOM 2707 C PHE B 57 13.323 -6.609 -3.348 1.00 62.05 C ATOM 2708 O PHE B 57 14.094 -6.742 -2.412 1.00 75.41 O ATOM 2709 CB PHE B 57 11.857 -4.655 -2.753 1.00 21.54 C ATOM 2710 CG PHE B 57 11.865 -3.170 -2.771 1.00 15.44 C ATOM 2711 CD1 PHE B 57 12.894 -2.488 -2.166 1.00 2.33 C ATOM 2712 CD2 PHE B 57 10.878 -2.455 -3.396 1.00 43.34 C ATOM 2713 CE1 PHE B 57 12.936 -1.117 -2.178 1.00 3.12 C ATOM 2714 CE2 PHE B 57 10.914 -1.082 -3.413 1.00 22.23 C ATOM 2715 CZ PHE B 57 11.945 -0.417 -2.804 1.00 42.41 C ATOM 0 H PHE B 57 11.331 -5.270 -5.233 1.00 20.43 H new ATOM 0 HA PHE B 57 13.701 -4.587 -3.740 1.00 22.12 H new ATOM 0 HB2 PHE B 57 10.851 -5.015 -2.969 1.00 21.54 H new ATOM 0 HB3 PHE B 57 12.114 -5.007 -1.754 1.00 21.54 H new ATOM 0 HD1 PHE B 57 13.681 -3.040 -1.674 1.00 2.33 H new ATOM 0 HD2 PHE B 57 10.064 -2.975 -3.880 1.00 43.34 H new ATOM 0 HE1 PHE B 57 13.748 -0.594 -1.695 1.00 3.12 H new ATOM 0 HE2 PHE B 57 10.130 -0.527 -3.906 1.00 22.23 H new ATOM 0 HZ PHE B 57 11.974 0.663 -2.819 1.00 42.41 H new ATOM 2725 N SER B 58 12.866 -7.614 -4.060 1.00 23.22 N ATOM 2726 CA SER B 58 13.155 -9.007 -3.770 1.00 72.31 C ATOM 2727 C SER B 58 14.637 -9.266 -3.898 1.00 51.01 C ATOM 2728 O SER B 58 15.200 -10.099 -3.184 1.00 73.12 O ATOM 2729 CB SER B 58 12.359 -9.917 -4.718 1.00 51.24 C ATOM 2730 OG SER B 58 12.580 -11.295 -4.457 1.00 55.13 O ATOM 0 H SER B 58 12.269 -7.486 -4.877 1.00 23.22 H new ATOM 0 HA SER B 58 12.855 -9.229 -2.746 1.00 72.31 H new ATOM 0 HB2 SER B 58 11.296 -9.697 -4.621 1.00 51.24 H new ATOM 0 HB3 SER B 58 12.637 -9.696 -5.748 1.00 51.24 H new ATOM 0 HG SER B 58 12.053 -11.835 -5.082 1.00 55.13 H new ATOM 2736 N SER B 59 15.274 -8.556 -4.806 1.00 22.32 N ATOM 2737 CA SER B 59 16.707 -8.655 -4.952 1.00 54.34 C ATOM 2738 C SER B 59 17.441 -8.189 -3.653 1.00 4.31 C ATOM 2739 O SER B 59 18.559 -8.617 -3.371 1.00 51.42 O ATOM 2740 CB SER B 59 17.132 -7.804 -6.138 1.00 0.23 C ATOM 2741 OG SER B 59 16.375 -8.165 -7.299 1.00 1.11 O ATOM 0 H SER B 59 14.822 -7.907 -5.451 1.00 22.32 H new ATOM 0 HA SER B 59 16.981 -9.696 -5.123 1.00 54.34 H new ATOM 0 HB2 SER B 59 16.982 -6.749 -5.910 1.00 0.23 H new ATOM 0 HB3 SER B 59 18.196 -7.941 -6.331 1.00 0.23 H new ATOM 0 HG SER B 59 16.654 -7.610 -8.057 1.00 1.11 H new ATOM 2747 N CYS B 60 16.781 -7.338 -2.869 1.00 40.40 N ATOM 2748 CA CYS B 60 17.359 -6.770 -1.655 1.00 0.23 C ATOM 2749 C CYS B 60 16.960 -7.549 -0.375 1.00 62.24 C ATOM 2750 O CYS B 60 17.316 -7.139 0.740 1.00 1.15 O ATOM 2751 CB CYS B 60 16.907 -5.315 -1.525 1.00 43.53 C ATOM 2752 SG CYS B 60 17.280 -4.297 -2.970 1.00 13.35 S ATOM 0 H CYS B 60 15.830 -7.023 -3.059 1.00 40.40 H new ATOM 0 HA CYS B 60 18.443 -6.839 -1.745 1.00 0.23 H new ATOM 0 HB2 CYS B 60 15.832 -5.294 -1.346 1.00 43.53 H new ATOM 0 HB3 CYS B 60 17.384 -4.874 -0.650 1.00 43.53 H new ATOM 0 HG CYS B 60 17.260 -3.042 -2.633 1.00 13.35 H new ATOM 2758 N GLY B 61 16.273 -8.666 -0.524 1.00 62.34 N ATOM 2759 CA GLY B 61 15.850 -9.397 0.668 1.00 44.44 C ATOM 2760 C GLY B 61 14.595 -10.215 0.486 1.00 22.12 C ATOM 2761 O GLY B 61 14.027 -10.263 -0.600 1.00 60.10 O ATOM 0 H GLY B 61 16.002 -9.079 -1.417 1.00 62.34 H new ATOM 0 HA2 GLY B 61 16.658 -10.059 0.979 1.00 44.44 H new ATOM 0 HA3 GLY B 61 15.691 -8.685 1.478 1.00 44.44 H new ATOM 2765 N SER B 62 14.151 -10.846 1.559 1.00 54.14 N ATOM 2766 CA SER B 62 12.999 -11.714 1.536 1.00 71.21 C ATOM 2767 C SER B 62 11.754 -10.952 1.977 1.00 21.34 C ATOM 2768 O SER B 62 11.642 -10.514 3.124 1.00 51.44 O ATOM 2769 CB SER B 62 13.248 -12.903 2.454 1.00 53.22 C ATOM 2770 OG SER B 62 14.462 -13.550 2.098 1.00 60.24 O ATOM 0 H SER B 62 14.588 -10.766 2.477 1.00 54.14 H new ATOM 0 HA SER B 62 12.836 -12.073 0.520 1.00 71.21 H new ATOM 0 HB2 SER B 62 13.296 -12.568 3.490 1.00 53.22 H new ATOM 0 HB3 SER B 62 12.418 -13.606 2.384 1.00 53.22 H new ATOM 0 HG SER B 62 14.614 -14.312 2.695 1.00 60.24 H new ATOM 2776 N ILE B 63 10.837 -10.802 1.076 1.00 42.53 N ATOM 2777 CA ILE B 63 9.642 -10.049 1.324 1.00 20.04 C ATOM 2778 C ILE B 63 8.553 -10.906 1.988 1.00 13.25 C ATOM 2779 O ILE B 63 8.297 -12.040 1.583 1.00 0.04 O ATOM 2780 CB ILE B 63 9.144 -9.396 0.013 1.00 34.51 C ATOM 2781 CG1 ILE B 63 10.231 -8.429 -0.506 1.00 21.35 C ATOM 2782 CG2 ILE B 63 7.803 -8.704 0.199 1.00 52.45 C ATOM 2783 CD1 ILE B 63 9.892 -7.700 -1.780 1.00 53.32 C ATOM 0 H ILE B 63 10.893 -11.200 0.139 1.00 42.53 H new ATOM 0 HA ILE B 63 9.879 -9.254 2.031 1.00 20.04 H new ATOM 0 HB ILE B 63 8.975 -10.172 -0.733 1.00 34.51 H new ATOM 0 HG12 ILE B 63 10.439 -7.692 0.270 1.00 21.35 H new ATOM 0 HG13 ILE B 63 11.150 -8.993 -0.664 1.00 21.35 H new ATOM 0 HG21 ILE B 63 7.489 -8.259 -0.745 1.00 52.45 H new ATOM 0 HG22 ILE B 63 7.059 -9.433 0.521 1.00 52.45 H new ATOM 0 HG23 ILE B 63 7.898 -7.924 0.954 1.00 52.45 H new ATOM 0 HD11 ILE B 63 10.720 -7.048 -2.057 1.00 53.32 H new ATOM 0 HD12 ILE B 63 9.716 -8.423 -2.577 1.00 53.32 H new ATOM 0 HD13 ILE B 63 8.994 -7.101 -1.629 1.00 53.32 H new ATOM 2795 N ASN B 64 7.979 -10.370 3.049 1.00 43.30 N ATOM 2796 CA ASN B 64 6.885 -11.018 3.788 1.00 54.24 C ATOM 2797 C ASN B 64 5.541 -10.462 3.387 1.00 23.21 C ATOM 2798 O ASN B 64 4.576 -11.212 3.217 1.00 62.04 O ATOM 2799 CB ASN B 64 7.070 -10.876 5.317 1.00 2.40 C ATOM 2800 CG ASN B 64 8.104 -11.824 5.921 1.00 21.15 C ATOM 2801 OD1 ASN B 64 8.042 -12.146 7.106 1.00 13.31 O ATOM 2802 ND2 ASN B 64 9.003 -12.322 5.117 1.00 23.42 N ATOM 0 H ASN B 64 8.253 -9.466 3.434 1.00 43.30 H new ATOM 0 HA ASN B 64 6.917 -12.076 3.529 1.00 54.24 H new ATOM 0 HB2 ASN B 64 7.362 -9.850 5.541 1.00 2.40 H new ATOM 0 HB3 ASN B 64 6.110 -11.048 5.804 1.00 2.40 H new ATOM 0 HD21 ASN B 64 9.681 -12.999 5.467 1.00 23.42 H new ATOM 0 HD22 ASN B 64 9.028 -12.034 4.139 1.00 23.42 H new ATOM 2809 N ARG B 65 5.474 -9.155 3.225 1.00 1.30 N ATOM 2810 CA ARG B 65 4.222 -8.482 2.886 1.00 63.01 C ATOM 2811 C ARG B 65 4.560 -7.243 2.113 1.00 41.15 C ATOM 2812 O ARG B 65 5.692 -6.776 2.173 1.00 41.35 O ATOM 2813 CB ARG B 65 3.442 -8.017 4.143 1.00 43.21 C ATOM 2814 CG ARG B 65 3.291 -9.024 5.265 1.00 43.13 C ATOM 2815 CD ARG B 65 2.406 -8.473 6.372 1.00 40.23 C ATOM 2816 NE ARG B 65 0.994 -8.387 5.969 1.00 4.14 N ATOM 2817 CZ ARG B 65 0.082 -7.588 6.539 1.00 60.12 C ATOM 2818 NH1 ARG B 65 0.459 -6.614 7.362 1.00 13.24 N ATOM 2819 NH2 ARG B 65 -1.206 -7.728 6.246 1.00 43.32 N ATOM 0 H ARG B 65 6.274 -8.529 3.322 1.00 1.30 H new ATOM 0 HA ARG B 65 3.608 -9.188 2.327 1.00 63.01 H new ATOM 0 HB2 ARG B 65 3.939 -7.134 4.544 1.00 43.21 H new ATOM 0 HB3 ARG B 65 2.445 -7.707 3.829 1.00 43.21 H new ATOM 0 HG2 ARG B 65 2.861 -9.947 4.876 1.00 43.13 H new ATOM 0 HG3 ARG B 65 4.272 -9.275 5.669 1.00 43.13 H new ATOM 0 HD2 ARG B 65 2.492 -9.109 7.253 1.00 40.23 H new ATOM 0 HD3 ARG B 65 2.761 -7.483 6.658 1.00 40.23 H new ATOM 0 HE ARG B 65 0.686 -8.980 5.198 1.00 4.14 H new ATOM 0 HH11 ARG B 65 1.449 -6.471 7.563 1.00 13.24 H new ATOM 0 HH12 ARG B 65 -0.241 -6.010 7.792 1.00 13.24 H new ATOM 0 HH21 ARG B 65 -1.504 -8.446 5.585 1.00 43.32 H new ATOM 0 HH22 ARG B 65 -1.897 -7.118 6.682 1.00 43.32 H new ATOM 2833 N ILE B 66 3.604 -6.722 1.404 1.00 15.22 N ATOM 2834 CA ILE B 66 3.743 -5.447 0.734 1.00 24.15 C ATOM 2835 C ILE B 66 2.399 -4.769 0.774 1.00 63.50 C ATOM 2836 O ILE B 66 1.361 -5.416 0.605 1.00 64.24 O ATOM 2837 CB ILE B 66 4.260 -5.521 -0.758 1.00 44.42 C ATOM 2838 CG1 ILE B 66 3.289 -6.264 -1.650 1.00 40.02 C ATOM 2839 CG2 ILE B 66 5.640 -6.150 -0.843 1.00 45.53 C ATOM 2840 CD1 ILE B 66 3.753 -6.407 -3.074 1.00 33.03 C ATOM 0 H ILE B 66 2.696 -7.166 1.268 1.00 15.22 H new ATOM 0 HA ILE B 66 4.515 -4.889 1.264 1.00 24.15 H new ATOM 0 HB ILE B 66 4.332 -4.494 -1.115 1.00 44.42 H new ATOM 0 HG12 ILE B 66 3.116 -7.256 -1.234 1.00 40.02 H new ATOM 0 HG13 ILE B 66 2.332 -5.743 -1.641 1.00 40.02 H new ATOM 0 HG21 ILE B 66 5.961 -6.183 -1.884 1.00 45.53 H new ATOM 0 HG22 ILE B 66 6.347 -5.556 -0.264 1.00 45.53 H new ATOM 0 HG23 ILE B 66 5.604 -7.163 -0.442 1.00 45.53 H new ATOM 0 HD11 ILE B 66 3.003 -6.950 -3.648 1.00 33.03 H new ATOM 0 HD12 ILE B 66 3.899 -5.419 -3.510 1.00 33.03 H new ATOM 0 HD13 ILE B 66 4.695 -6.956 -3.097 1.00 33.03 H new ATOM 2852 N THR B 67 2.407 -3.518 1.031 1.00 21.44 N ATOM 2853 CA THR B 67 1.207 -2.747 1.117 1.00 62.33 C ATOM 2854 C THR B 67 1.345 -1.585 0.172 1.00 71.45 C ATOM 2855 O THR B 67 2.257 -0.794 0.317 1.00 21.53 O ATOM 2856 CB THR B 67 1.013 -2.234 2.561 1.00 51.13 C ATOM 2857 OG1 THR B 67 1.031 -3.344 3.469 1.00 55.34 O ATOM 2858 CG2 THR B 67 -0.306 -1.488 2.710 1.00 64.10 C ATOM 0 H THR B 67 3.259 -2.981 1.192 1.00 21.44 H new ATOM 0 HA THR B 67 0.341 -3.354 0.852 1.00 62.33 H new ATOM 0 HB THR B 67 1.827 -1.545 2.789 1.00 51.13 H new ATOM 0 HG1 THR B 67 1.959 -3.598 3.657 1.00 55.34 H new ATOM 0 HG21 THR B 67 -0.413 -1.140 3.737 1.00 64.10 H new ATOM 0 HG22 THR B 67 -0.319 -0.633 2.034 1.00 64.10 H new ATOM 0 HG23 THR B 67 -1.132 -2.156 2.466 1.00 64.10 H new ATOM 2866 N ILE B 68 0.467 -1.468 -0.778 1.00 62.21 N ATOM 2867 CA ILE B 68 0.578 -0.415 -1.746 1.00 14.25 C ATOM 2868 C ILE B 68 -0.649 0.437 -1.596 1.00 10.25 C ATOM 2869 O ILE B 68 -1.750 -0.052 -1.780 1.00 3.53 O ATOM 2870 CB ILE B 68 0.615 -0.917 -3.233 1.00 11.02 C ATOM 2871 CG1 ILE B 68 1.553 -2.126 -3.457 1.00 52.32 C ATOM 2872 CG2 ILE B 68 0.984 0.221 -4.180 1.00 22.42 C ATOM 2873 CD1 ILE B 68 0.866 -3.457 -3.255 1.00 11.52 C ATOM 0 H ILE B 68 -0.334 -2.087 -0.905 1.00 62.21 H new ATOM 0 HA ILE B 68 1.516 0.109 -1.560 1.00 14.25 H new ATOM 0 HB ILE B 68 -0.394 -1.264 -3.455 1.00 11.02 H new ATOM 0 HG12 ILE B 68 1.956 -2.082 -4.469 1.00 52.32 H new ATOM 0 HG13 ILE B 68 2.399 -2.053 -2.773 1.00 52.32 H new ATOM 0 HG21 ILE B 68 1.004 -0.150 -5.205 1.00 22.42 H new ATOM 0 HG22 ILE B 68 0.245 1.018 -4.097 1.00 22.42 H new ATOM 0 HG23 ILE B 68 1.968 0.610 -3.916 1.00 22.42 H new ATOM 0 HD11 ILE B 68 1.578 -4.264 -3.427 1.00 11.52 H new ATOM 0 HD12 ILE B 68 0.486 -3.519 -2.235 1.00 11.52 H new ATOM 0 HD13 ILE B 68 0.037 -3.549 -3.957 1.00 11.52 H new ATOM 2885 N LEU B 69 -0.486 1.665 -1.229 1.00 54.14 N ATOM 2886 CA LEU B 69 -1.624 2.531 -1.073 1.00 21.14 C ATOM 2887 C LEU B 69 -1.549 3.737 -1.963 1.00 15.54 C ATOM 2888 O LEU B 69 -0.564 4.475 -1.959 1.00 73.33 O ATOM 2889 CB LEU B 69 -2.011 2.867 0.391 1.00 65.33 C ATOM 2890 CG LEU B 69 -0.979 3.497 1.338 1.00 35.52 C ATOM 2891 CD1 LEU B 69 -1.664 3.894 2.624 1.00 60.41 C ATOM 2892 CD2 LEU B 69 0.160 2.529 1.650 1.00 50.02 C ATOM 0 H LEU B 69 0.417 2.097 -1.031 1.00 54.14 H new ATOM 0 HA LEU B 69 -2.468 1.934 -1.419 1.00 21.14 H new ATOM 0 HB2 LEU B 69 -2.867 3.540 0.352 1.00 65.33 H new ATOM 0 HB3 LEU B 69 -2.353 1.942 0.855 1.00 65.33 H new ATOM 0 HG LEU B 69 -0.554 4.372 0.846 1.00 35.52 H new ATOM 0 HD11 LEU B 69 -0.936 4.342 3.301 1.00 60.41 H new ATOM 0 HD12 LEU B 69 -2.452 4.616 2.409 1.00 60.41 H new ATOM 0 HD13 LEU B 69 -2.099 3.011 3.092 1.00 60.41 H new ATOM 0 HD21 LEU B 69 0.871 3.009 2.323 1.00 50.02 H new ATOM 0 HD22 LEU B 69 -0.243 1.635 2.125 1.00 50.02 H new ATOM 0 HD23 LEU B 69 0.666 2.252 0.725 1.00 50.02 H new ATOM 2904 N CYS B 70 -2.555 3.916 -2.744 1.00 73.41 N ATOM 2905 CA CYS B 70 -2.621 5.008 -3.656 1.00 42.42 C ATOM 2906 C CYS B 70 -3.793 5.877 -3.290 1.00 13.14 C ATOM 2907 O CYS B 70 -4.872 5.364 -3.000 1.00 30.02 O ATOM 2908 CB CYS B 70 -2.772 4.485 -5.084 1.00 4.43 C ATOM 2909 SG CYS B 70 -1.437 3.378 -5.596 1.00 71.22 S ATOM 0 H CYS B 70 -3.368 3.301 -2.770 1.00 73.41 H new ATOM 0 HA CYS B 70 -1.704 5.594 -3.600 1.00 42.42 H new ATOM 0 HB2 CYS B 70 -3.722 3.958 -5.170 1.00 4.43 H new ATOM 0 HB3 CYS B 70 -2.813 5.332 -5.769 1.00 4.43 H new ATOM 0 HG CYS B 70 -1.646 2.982 -6.816 1.00 71.22 H new ATOM 2915 N ASP B 71 -3.606 7.165 -3.262 1.00 54.12 N ATOM 2916 CA ASP B 71 -4.717 8.040 -2.974 1.00 34.50 C ATOM 2917 C ASP B 71 -4.837 9.043 -4.072 1.00 24.44 C ATOM 2918 O ASP B 71 -3.837 9.492 -4.617 1.00 61.41 O ATOM 2919 CB ASP B 71 -4.594 8.740 -1.615 1.00 2.45 C ATOM 2920 CG ASP B 71 -3.544 9.800 -1.573 1.00 2.11 C ATOM 2921 OD1 ASP B 71 -3.842 10.938 -1.969 1.00 13.21 O ATOM 2922 OD2 ASP B 71 -2.423 9.518 -1.142 1.00 12.32 O ATOM 0 H ASP B 71 -2.714 7.631 -3.431 1.00 54.12 H new ATOM 0 HA ASP B 71 -5.618 7.429 -2.916 1.00 34.50 H new ATOM 0 HB2 ASP B 71 -5.555 9.185 -1.358 1.00 2.45 H new ATOM 0 HB3 ASP B 71 -4.374 7.994 -0.852 1.00 2.45 H new ATOM 2927 N LYS B 72 -6.034 9.388 -4.415 1.00 44.42 N ATOM 2928 CA LYS B 72 -6.242 10.302 -5.494 1.00 64.54 C ATOM 2929 C LYS B 72 -6.951 11.541 -4.968 1.00 34.12 C ATOM 2930 O LYS B 72 -7.441 12.366 -5.733 1.00 55.53 O ATOM 2931 CB LYS B 72 -7.065 9.621 -6.599 1.00 53.15 C ATOM 2932 CG LYS B 72 -6.989 10.324 -7.954 1.00 22.53 C ATOM 2933 CD LYS B 72 -7.923 9.703 -8.986 1.00 1.42 C ATOM 2934 CE LYS B 72 -7.642 8.221 -9.207 1.00 41.33 C ATOM 2935 NZ LYS B 72 -8.552 7.632 -10.209 1.00 33.52 N ATOM 0 H LYS B 72 -6.885 9.052 -3.965 1.00 44.42 H new ATOM 0 HA LYS B 72 -5.285 10.602 -5.921 1.00 64.54 H new ATOM 0 HB2 LYS B 72 -6.719 8.594 -6.714 1.00 53.15 H new ATOM 0 HB3 LYS B 72 -8.107 9.573 -6.284 1.00 53.15 H new ATOM 0 HG2 LYS B 72 -7.240 11.377 -7.828 1.00 22.53 H new ATOM 0 HG3 LYS B 72 -5.965 10.283 -8.324 1.00 22.53 H new ATOM 0 HD2 LYS B 72 -8.955 9.830 -8.660 1.00 1.42 H new ATOM 0 HD3 LYS B 72 -7.820 10.235 -9.932 1.00 1.42 H new ATOM 0 HE2 LYS B 72 -6.610 8.092 -9.533 1.00 41.33 H new ATOM 0 HE3 LYS B 72 -7.747 7.687 -8.263 1.00 41.33 H new ATOM 0 HZ1 LYS B 72 -8.153 6.736 -10.556 1.00 33.52 H new ATOM 0 HZ2 LYS B 72 -9.479 7.453 -9.773 1.00 33.52 H new ATOM 0 HZ3 LYS B 72 -8.665 8.292 -11.005 1.00 33.52 H new ATOM 2949 N PHE B 73 -6.951 11.703 -3.641 1.00 70.45 N ATOM 2950 CA PHE B 73 -7.622 12.845 -3.027 1.00 50.21 C ATOM 2951 C PHE B 73 -6.883 14.163 -3.305 1.00 33.54 C ATOM 2952 O PHE B 73 -7.399 15.258 -3.043 1.00 11.33 O ATOM 2953 CB PHE B 73 -7.934 12.629 -1.513 1.00 12.42 C ATOM 2954 CG PHE B 73 -6.763 12.386 -0.582 1.00 10.41 C ATOM 2955 CD1 PHE B 73 -5.820 13.374 -0.332 1.00 34.33 C ATOM 2956 CD2 PHE B 73 -6.638 11.177 0.079 1.00 44.42 C ATOM 2957 CE1 PHE B 73 -4.779 13.154 0.547 1.00 3.23 C ATOM 2958 CE2 PHE B 73 -5.594 10.950 0.957 1.00 75.14 C ATOM 2959 CZ PHE B 73 -4.666 11.942 1.191 1.00 64.30 C ATOM 0 H PHE B 73 -6.500 11.067 -2.983 1.00 70.45 H new ATOM 0 HA PHE B 73 -8.595 12.927 -3.511 1.00 50.21 H new ATOM 0 HB2 PHE B 73 -8.473 13.505 -1.153 1.00 12.42 H new ATOM 0 HB3 PHE B 73 -8.612 11.780 -1.428 1.00 12.42 H new ATOM 0 HD1 PHE B 73 -5.902 14.328 -0.832 1.00 34.33 H new ATOM 0 HD2 PHE B 73 -7.367 10.399 -0.093 1.00 44.42 H new ATOM 0 HE1 PHE B 73 -4.053 13.932 0.730 1.00 3.23 H new ATOM 0 HE2 PHE B 73 -5.506 9.997 1.458 1.00 75.14 H new ATOM 0 HZ PHE B 73 -3.851 11.769 1.879 1.00 64.30 H new ATOM 2969 N SER B 74 -5.676 14.042 -3.830 1.00 22.13 N ATOM 2970 CA SER B 74 -4.897 15.185 -4.263 1.00 71.11 C ATOM 2971 C SER B 74 -5.199 15.504 -5.742 1.00 72.31 C ATOM 2972 O SER B 74 -4.591 16.386 -6.340 1.00 60.42 O ATOM 2973 CB SER B 74 -3.402 14.902 -4.076 1.00 42.15 C ATOM 2974 OG SER B 74 -3.097 14.613 -2.712 1.00 31.01 O ATOM 0 H SER B 74 -5.209 13.146 -3.968 1.00 22.13 H new ATOM 0 HA SER B 74 -5.170 16.049 -3.657 1.00 71.11 H new ATOM 0 HB2 SER B 74 -3.107 14.061 -4.703 1.00 42.15 H new ATOM 0 HB3 SER B 74 -2.822 15.764 -4.406 1.00 42.15 H new ATOM 0 HG SER B 74 -2.339 15.162 -2.423 1.00 31.01 H new ATOM 2980 N GLY B 75 -6.132 14.762 -6.323 1.00 73.35 N ATOM 2981 CA GLY B 75 -6.499 14.954 -7.711 1.00 74.32 C ATOM 2982 C GLY B 75 -5.732 14.011 -8.586 1.00 3.12 C ATOM 2983 O GLY B 75 -6.294 13.323 -9.441 1.00 13.31 O ATOM 0 H GLY B 75 -6.647 14.020 -5.849 1.00 73.35 H new ATOM 0 HA2 GLY B 75 -7.569 14.790 -7.838 1.00 74.32 H new ATOM 0 HA3 GLY B 75 -6.297 15.983 -8.009 1.00 74.32 H new ATOM 2987 N HIS B 76 -4.458 13.972 -8.349 1.00 61.02 N ATOM 2988 CA HIS B 76 -3.573 13.055 -9.014 1.00 41.44 C ATOM 2989 C HIS B 76 -3.412 11.874 -8.101 1.00 72.24 C ATOM 2990 O HIS B 76 -3.257 12.065 -6.889 1.00 62.54 O ATOM 2991 CB HIS B 76 -2.200 13.681 -9.323 1.00 3.35 C ATOM 2992 CG HIS B 76 -2.225 14.793 -10.328 1.00 41.22 C ATOM 2993 ND1 HIS B 76 -1.843 14.629 -11.642 1.00 21.13 N ATOM 2994 CD2 HIS B 76 -2.560 16.096 -10.203 1.00 43.32 C ATOM 2995 CE1 HIS B 76 -1.938 15.781 -12.271 1.00 34.45 C ATOM 2996 NE2 HIS B 76 -2.371 16.683 -11.425 1.00 24.41 N ATOM 0 H HIS B 76 -3.992 14.584 -7.679 1.00 61.02 H new ATOM 0 HA HIS B 76 -3.997 12.770 -9.977 1.00 41.44 H new ATOM 0 HB2 HIS B 76 -1.772 14.059 -8.395 1.00 3.35 H new ATOM 0 HB3 HIS B 76 -1.533 12.898 -9.685 1.00 3.35 H new ATOM 0 HD2 HIS B 76 -2.912 16.584 -9.306 1.00 43.32 H new ATOM 0 HE1 HIS B 76 -1.699 15.954 -13.310 1.00 34.45 H new ATOM 0 HE2 HIS B 76 -2.540 17.665 -11.642 1.00 24.41 H new ATOM 3005 N PRO B 77 -3.484 10.649 -8.611 1.00 4.32 N ATOM 3006 CA PRO B 77 -3.329 9.489 -7.767 1.00 12.22 C ATOM 3007 C PRO B 77 -1.875 9.299 -7.383 1.00 5.44 C ATOM 3008 O PRO B 77 -0.998 9.118 -8.238 1.00 12.42 O ATOM 3009 CB PRO B 77 -3.839 8.344 -8.641 1.00 51.33 C ATOM 3010 CG PRO B 77 -3.593 8.793 -10.043 1.00 51.34 C ATOM 3011 CD PRO B 77 -3.708 10.297 -10.029 1.00 62.32 C ATOM 0 HA PRO B 77 -3.870 9.563 -6.824 1.00 12.22 H new ATOM 0 HB2 PRO B 77 -3.310 7.416 -8.425 1.00 51.33 H new ATOM 0 HB3 PRO B 77 -4.898 8.155 -8.467 1.00 51.33 H new ATOM 0 HG2 PRO B 77 -2.606 8.481 -10.384 1.00 51.34 H new ATOM 0 HG3 PRO B 77 -4.320 8.353 -10.726 1.00 51.34 H new ATOM 0 HD2 PRO B 77 -2.967 10.762 -10.679 1.00 62.32 H new ATOM 0 HD3 PRO B 77 -4.688 10.628 -10.374 1.00 62.32 H new ATOM 3019 N LYS B 78 -1.612 9.364 -6.114 1.00 42.54 N ATOM 3020 CA LYS B 78 -0.283 9.241 -5.628 1.00 11.44 C ATOM 3021 C LYS B 78 -0.045 7.840 -5.201 1.00 34.40 C ATOM 3022 O LYS B 78 -0.940 7.201 -4.668 1.00 55.51 O ATOM 3023 CB LYS B 78 -0.045 10.175 -4.443 1.00 53.43 C ATOM 3024 CG LYS B 78 -0.415 11.624 -4.706 1.00 45.41 C ATOM 3025 CD LYS B 78 0.171 12.565 -3.651 1.00 63.23 C ATOM 3026 CE LYS B 78 -0.245 12.223 -2.219 1.00 51.30 C ATOM 3027 NZ LYS B 78 -1.696 12.355 -1.980 1.00 0.05 N ATOM 0 H LYS B 78 -2.317 9.504 -5.390 1.00 42.54 H new ATOM 0 HA LYS B 78 0.404 9.514 -6.429 1.00 11.44 H new ATOM 0 HB2 LYS B 78 -0.620 9.814 -3.590 1.00 53.43 H new ATOM 0 HB3 LYS B 78 1.007 10.126 -4.162 1.00 53.43 H new ATOM 0 HG2 LYS B 78 -0.056 11.917 -5.693 1.00 45.41 H new ATOM 0 HG3 LYS B 78 -1.500 11.725 -4.719 1.00 45.41 H new ATOM 0 HD2 LYS B 78 1.259 12.540 -3.719 1.00 63.23 H new ATOM 0 HD3 LYS B 78 -0.139 13.586 -3.876 1.00 63.23 H new ATOM 0 HE2 LYS B 78 0.061 11.201 -1.994 1.00 51.30 H new ATOM 0 HE3 LYS B 78 0.290 12.875 -1.528 1.00 51.30 H new ATOM 0 HZ1 LYS B 78 -1.889 12.276 -0.961 1.00 0.05 H new ATOM 0 HZ2 LYS B 78 -2.021 13.281 -2.323 1.00 0.05 H new ATOM 0 HZ3 LYS B 78 -2.201 11.601 -2.487 1.00 0.05 H new ATOM 3041 N GLY B 79 1.141 7.365 -5.415 1.00 61.34 N ATOM 3042 CA GLY B 79 1.450 6.034 -5.047 1.00 65.45 C ATOM 3043 C GLY B 79 2.561 5.971 -4.040 1.00 33.35 C ATOM 3044 O GLY B 79 3.594 6.630 -4.194 1.00 54.04 O ATOM 0 H GLY B 79 1.907 7.885 -5.843 1.00 61.34 H new ATOM 0 HA2 GLY B 79 0.561 5.556 -4.636 1.00 65.45 H new ATOM 0 HA3 GLY B 79 1.734 5.469 -5.935 1.00 65.45 H new ATOM 3048 N TYR B 80 2.335 5.207 -3.016 1.00 72.53 N ATOM 3049 CA TYR B 80 3.302 4.937 -1.986 1.00 72.40 C ATOM 3050 C TYR B 80 3.050 3.572 -1.400 1.00 42.23 C ATOM 3051 O TYR B 80 1.909 3.135 -1.299 1.00 30.43 O ATOM 3052 CB TYR B 80 3.416 6.070 -0.927 1.00 21.31 C ATOM 3053 CG TYR B 80 2.112 6.620 -0.373 1.00 65.31 C ATOM 3054 CD1 TYR B 80 1.460 7.654 -1.031 1.00 12.15 C ATOM 3055 CD2 TYR B 80 1.546 6.136 0.805 1.00 62.02 C ATOM 3056 CE1 TYR B 80 0.294 8.189 -0.550 1.00 35.54 C ATOM 3057 CE2 TYR B 80 0.361 6.672 1.300 1.00 64.21 C ATOM 3058 CZ TYR B 80 -0.257 7.707 0.610 1.00 43.31 C ATOM 3059 OH TYR B 80 -1.446 8.253 1.068 1.00 72.41 O ATOM 0 H TYR B 80 1.443 4.736 -2.865 1.00 72.53 H new ATOM 0 HA TYR B 80 4.292 4.924 -2.443 1.00 72.40 H new ATOM 0 HB2 TYR B 80 4.010 5.697 -0.092 1.00 21.31 H new ATOM 0 HB3 TYR B 80 3.972 6.896 -1.371 1.00 21.31 H new ATOM 0 HD1 TYR B 80 1.882 8.046 -1.944 1.00 12.15 H new ATOM 0 HD2 TYR B 80 2.033 5.335 1.341 1.00 62.02 H new ATOM 0 HE1 TYR B 80 -0.192 8.991 -1.085 1.00 35.54 H new ATOM 0 HE2 TYR B 80 -0.073 6.287 2.211 1.00 64.21 H new ATOM 0 HH TYR B 80 -1.885 8.739 0.339 1.00 72.41 H new ATOM 3069 N ALA B 81 4.093 2.887 -1.057 1.00 71.32 N ATOM 3070 CA ALA B 81 3.972 1.531 -0.624 1.00 20.12 C ATOM 3071 C ALA B 81 4.913 1.225 0.506 1.00 75.02 C ATOM 3072 O ALA B 81 5.911 1.898 0.693 1.00 12.25 O ATOM 3073 CB ALA B 81 4.252 0.594 -1.793 1.00 35.24 C ATOM 0 H ALA B 81 5.047 3.248 -1.068 1.00 71.32 H new ATOM 0 HA ALA B 81 2.954 1.382 -0.263 1.00 20.12 H new ATOM 0 HB1 ALA B 81 4.159 -0.440 -1.461 1.00 35.24 H new ATOM 0 HB2 ALA B 81 3.535 0.784 -2.592 1.00 35.24 H new ATOM 0 HB3 ALA B 81 5.262 0.767 -2.164 1.00 35.24 H new ATOM 3079 N TYR B 82 4.572 0.233 1.261 1.00 64.13 N ATOM 3080 CA TYR B 82 5.407 -0.269 2.306 1.00 34.52 C ATOM 3081 C TYR B 82 5.782 -1.674 1.948 1.00 4.23 C ATOM 3082 O TYR B 82 4.914 -2.459 1.560 1.00 12.12 O ATOM 3083 CB TYR B 82 4.676 -0.305 3.628 1.00 41.13 C ATOM 3084 CG TYR B 82 4.135 1.005 4.132 1.00 33.13 C ATOM 3085 CD1 TYR B 82 4.926 2.153 4.191 1.00 22.22 C ATOM 3086 CD2 TYR B 82 2.840 1.076 4.611 1.00 50.23 C ATOM 3087 CE1 TYR B 82 4.424 3.331 4.717 1.00 73.30 C ATOM 3088 CE2 TYR B 82 2.333 2.237 5.121 1.00 4.22 C ATOM 3089 CZ TYR B 82 3.123 3.358 5.178 1.00 12.13 C ATOM 3090 OH TYR B 82 2.618 4.492 5.718 1.00 54.33 O ATOM 0 H TYR B 82 3.686 -0.263 1.168 1.00 64.13 H new ATOM 0 HA TYR B 82 6.277 0.380 2.408 1.00 34.52 H new ATOM 0 HB2 TYR B 82 3.846 -1.006 3.540 1.00 41.13 H new ATOM 0 HB3 TYR B 82 5.353 -0.707 4.382 1.00 41.13 H new ATOM 0 HD1 TYR B 82 5.941 2.122 3.822 1.00 22.22 H new ATOM 0 HD2 TYR B 82 2.216 0.195 4.581 1.00 50.23 H new ATOM 0 HE1 TYR B 82 5.041 4.216 4.766 1.00 73.30 H new ATOM 0 HE2 TYR B 82 1.314 2.273 5.478 1.00 4.22 H new ATOM 0 HH TYR B 82 1.689 4.339 5.991 1.00 54.33 H new ATOM 3100 N ILE B 83 7.035 -1.989 2.020 1.00 50.21 N ATOM 3101 CA ILE B 83 7.489 -3.317 1.689 1.00 51.23 C ATOM 3102 C ILE B 83 8.045 -3.975 2.958 1.00 3.32 C ATOM 3103 O ILE B 83 9.079 -3.555 3.474 1.00 21.55 O ATOM 3104 CB ILE B 83 8.603 -3.237 0.596 1.00 13.51 C ATOM 3105 CG1 ILE B 83 8.131 -2.375 -0.595 1.00 63.44 C ATOM 3106 CG2 ILE B 83 9.016 -4.618 0.120 1.00 74.35 C ATOM 3107 CD1 ILE B 83 6.909 -2.897 -1.323 1.00 11.44 C ATOM 0 H ILE B 83 7.773 -1.346 2.306 1.00 50.21 H new ATOM 0 HA ILE B 83 6.661 -3.909 1.300 1.00 51.23 H new ATOM 0 HB ILE B 83 9.476 -2.766 1.047 1.00 13.51 H new ATOM 0 HG12 ILE B 83 7.917 -1.369 -0.233 1.00 63.44 H new ATOM 0 HG13 ILE B 83 8.951 -2.289 -1.309 1.00 63.44 H new ATOM 0 HG21 ILE B 83 9.792 -4.524 -0.640 1.00 74.35 H new ATOM 0 HG22 ILE B 83 9.400 -5.193 0.962 1.00 74.35 H new ATOM 0 HG23 ILE B 83 8.152 -5.130 -0.305 1.00 74.35 H new ATOM 0 HD11 ILE B 83 6.657 -2.223 -2.142 1.00 11.44 H new ATOM 0 HD12 ILE B 83 7.119 -3.889 -1.722 1.00 11.44 H new ATOM 0 HD13 ILE B 83 6.070 -2.955 -0.630 1.00 11.44 H new ATOM 3119 N GLU B 84 7.344 -4.973 3.458 1.00 51.12 N ATOM 3120 CA GLU B 84 7.739 -5.676 4.674 1.00 75.45 C ATOM 3121 C GLU B 84 8.720 -6.807 4.359 1.00 65.45 C ATOM 3122 O GLU B 84 8.379 -7.747 3.625 1.00 33.53 O ATOM 3123 CB GLU B 84 6.510 -6.280 5.410 1.00 33.22 C ATOM 3124 CG GLU B 84 5.517 -5.303 6.072 1.00 12.22 C ATOM 3125 CD GLU B 84 4.799 -4.353 5.135 1.00 24.21 C ATOM 3126 OE1 GLU B 84 3.771 -4.732 4.555 1.00 61.13 O ATOM 3127 OE2 GLU B 84 5.212 -3.193 5.039 1.00 45.41 O ATOM 0 H GLU B 84 6.484 -5.324 3.037 1.00 51.12 H new ATOM 0 HA GLU B 84 8.218 -4.940 5.319 1.00 75.45 H new ATOM 0 HB2 GLU B 84 5.956 -6.887 4.694 1.00 33.22 H new ATOM 0 HB3 GLU B 84 6.880 -6.955 6.181 1.00 33.22 H new ATOM 0 HG2 GLU B 84 4.769 -5.885 6.611 1.00 12.22 H new ATOM 0 HG3 GLU B 84 6.057 -4.713 6.813 1.00 12.22 H new ATOM 3134 N PHE B 85 9.909 -6.735 4.913 1.00 61.43 N ATOM 3135 CA PHE B 85 10.905 -7.775 4.738 1.00 4.14 C ATOM 3136 C PHE B 85 11.003 -8.620 6.001 1.00 54.42 C ATOM 3137 O PHE B 85 10.485 -8.249 7.049 1.00 1.33 O ATOM 3138 CB PHE B 85 12.283 -7.179 4.442 1.00 31.50 C ATOM 3139 CG PHE B 85 12.374 -6.342 3.202 1.00 44.20 C ATOM 3140 CD1 PHE B 85 12.551 -6.930 1.963 1.00 0.43 C ATOM 3141 CD2 PHE B 85 12.310 -4.962 3.279 1.00 24.52 C ATOM 3142 CE1 PHE B 85 12.657 -6.159 0.824 1.00 73.33 C ATOM 3143 CE2 PHE B 85 12.421 -4.187 2.148 1.00 31.14 C ATOM 3144 CZ PHE B 85 12.593 -4.783 0.920 1.00 13.32 C ATOM 0 H PHE B 85 10.215 -5.957 5.497 1.00 61.43 H new ATOM 0 HA PHE B 85 10.595 -8.390 3.894 1.00 4.14 H new ATOM 0 HB2 PHE B 85 12.586 -6.569 5.293 1.00 31.50 H new ATOM 0 HB3 PHE B 85 13.002 -7.994 4.362 1.00 31.50 H new ATOM 0 HD1 PHE B 85 12.607 -8.006 1.886 1.00 0.43 H new ATOM 0 HD2 PHE B 85 12.171 -4.487 4.239 1.00 24.52 H new ATOM 0 HE1 PHE B 85 12.790 -6.630 -0.139 1.00 73.33 H new ATOM 0 HE2 PHE B 85 12.373 -3.111 2.224 1.00 31.14 H new ATOM 0 HZ PHE B 85 12.678 -4.175 0.032 1.00 13.32 H new ATOM 3154 N ALA B 86 11.632 -9.763 5.888 1.00 51.23 N ATOM 3155 CA ALA B 86 11.852 -10.628 7.034 1.00 32.33 C ATOM 3156 C ALA B 86 13.033 -10.155 7.894 1.00 10.33 C ATOM 3157 O ALA B 86 13.018 -10.307 9.118 1.00 31.04 O ATOM 3158 CB ALA B 86 12.064 -12.061 6.579 1.00 55.44 C ATOM 0 H ALA B 86 12.005 -10.123 5.010 1.00 51.23 H new ATOM 0 HA ALA B 86 10.959 -10.581 7.657 1.00 32.33 H new ATOM 0 HB1 ALA B 86 12.228 -12.698 7.448 1.00 55.44 H new ATOM 0 HB2 ALA B 86 11.183 -12.405 6.038 1.00 55.44 H new ATOM 0 HB3 ALA B 86 12.934 -12.110 5.924 1.00 55.44 H new ATOM 3164 N GLU B 87 14.047 -9.605 7.256 1.00 3.33 N ATOM 3165 CA GLU B 87 15.249 -9.132 7.943 1.00 73.41 C ATOM 3166 C GLU B 87 15.371 -7.608 7.915 1.00 52.22 C ATOM 3167 O GLU B 87 14.930 -6.952 6.973 1.00 33.21 O ATOM 3168 CB GLU B 87 16.544 -9.715 7.314 1.00 25.20 C ATOM 3169 CG GLU B 87 16.840 -11.206 7.531 1.00 22.13 C ATOM 3170 CD GLU B 87 15.843 -12.153 6.918 1.00 61.10 C ATOM 3171 OE1 GLU B 87 15.754 -12.216 5.665 1.00 33.22 O ATOM 3172 OE2 GLU B 87 15.146 -12.871 7.683 1.00 23.13 O ATOM 0 H GLU B 87 14.068 -9.470 6.245 1.00 3.33 H new ATOM 0 HA GLU B 87 15.143 -9.475 8.972 1.00 73.41 H new ATOM 0 HB2 GLU B 87 16.504 -9.535 6.240 1.00 25.20 H new ATOM 0 HB3 GLU B 87 17.389 -9.146 7.702 1.00 25.20 H new ATOM 0 HG2 GLU B 87 17.826 -11.427 7.123 1.00 22.13 H new ATOM 0 HG3 GLU B 87 16.888 -11.398 8.603 1.00 22.13 H new ATOM 3179 N ARG B 88 16.005 -7.069 8.947 1.00 42.33 N ATOM 3180 CA ARG B 88 16.354 -5.647 9.029 1.00 74.54 C ATOM 3181 C ARG B 88 17.428 -5.331 8.014 1.00 62.14 C ATOM 3182 O ARG B 88 17.514 -4.232 7.505 1.00 54.21 O ATOM 3183 CB ARG B 88 16.871 -5.319 10.435 1.00 2.11 C ATOM 3184 CG ARG B 88 15.801 -5.222 11.497 1.00 12.32 C ATOM 3185 CD ARG B 88 15.066 -3.894 11.407 1.00 24.11 C ATOM 3186 NE ARG B 88 15.984 -2.790 11.709 1.00 61.30 N ATOM 3187 CZ ARG B 88 15.731 -1.477 11.596 1.00 13.24 C ATOM 3188 NH1 ARG B 88 14.572 -1.040 11.115 1.00 41.51 N ATOM 3189 NH2 ARG B 88 16.660 -0.606 11.956 1.00 73.14 N ATOM 0 H ARG B 88 16.297 -7.608 9.762 1.00 42.33 H new ATOM 0 HA ARG B 88 15.467 -5.048 8.822 1.00 74.54 H new ATOM 0 HB2 ARG B 88 17.588 -6.085 10.731 1.00 2.11 H new ATOM 0 HB3 ARG B 88 17.412 -4.373 10.397 1.00 2.11 H new ATOM 0 HG2 ARG B 88 15.093 -6.043 11.382 1.00 12.32 H new ATOM 0 HG3 ARG B 88 16.252 -5.327 12.484 1.00 12.32 H new ATOM 0 HD2 ARG B 88 14.648 -3.767 10.408 1.00 24.11 H new ATOM 0 HD3 ARG B 88 14.230 -3.884 12.106 1.00 24.11 H new ATOM 0 HE ARG B 88 16.914 -3.048 12.040 1.00 61.30 H new ATOM 0 HH11 ARG B 88 13.857 -1.706 10.824 1.00 41.51 H new ATOM 0 HH12 ARG B 88 14.398 -0.038 11.037 1.00 41.51 H new ATOM 0 HH21 ARG B 88 17.556 -0.935 12.315 1.00 73.14 H new ATOM 0 HH22 ARG B 88 16.480 0.395 11.875 1.00 73.14 H new ATOM 3203 N ASN B 89 18.229 -6.319 7.712 1.00 1.31 N ATOM 3204 CA ASN B 89 19.312 -6.171 6.753 1.00 62.24 C ATOM 3205 C ASN B 89 18.782 -5.866 5.379 1.00 53.43 C ATOM 3206 O ASN B 89 19.444 -5.190 4.585 1.00 4.54 O ATOM 3207 CB ASN B 89 20.194 -7.412 6.713 1.00 22.43 C ATOM 3208 CG ASN B 89 20.918 -7.669 8.029 1.00 73.05 C ATOM 3209 OD1 ASN B 89 20.434 -7.364 9.087 1.00 53.43 O ATOM 3210 ND2 ASN B 89 22.059 -8.200 7.968 1.00 41.33 N ATOM 0 H ASN B 89 18.156 -7.251 8.119 1.00 1.31 H new ATOM 0 HA ASN B 89 19.922 -5.330 7.083 1.00 62.24 H new ATOM 0 HB2 ASN B 89 19.581 -8.279 6.466 1.00 22.43 H new ATOM 0 HB3 ASN B 89 20.929 -7.304 5.915 1.00 22.43 H new ATOM 0 HD21 ASN B 89 22.586 -8.377 8.823 1.00 41.33 H new ATOM 0 HD22 ASN B 89 22.456 -8.453 7.063 1.00 41.33 H new ATOM 3217 N SER B 90 17.579 -6.346 5.084 1.00 21.22 N ATOM 3218 CA SER B 90 16.953 -6.082 3.834 1.00 12.33 C ATOM 3219 C SER B 90 16.588 -4.600 3.720 1.00 52.12 C ATOM 3220 O SER B 90 16.698 -4.019 2.640 1.00 71.13 O ATOM 3221 CB SER B 90 15.721 -6.950 3.707 1.00 45.20 C ATOM 3222 OG SER B 90 16.056 -8.318 3.917 1.00 24.12 O ATOM 0 H SER B 90 17.027 -6.926 5.716 1.00 21.22 H new ATOM 0 HA SER B 90 17.643 -6.317 3.024 1.00 12.33 H new ATOM 0 HB2 SER B 90 14.971 -6.637 4.433 1.00 45.20 H new ATOM 0 HB3 SER B 90 15.280 -6.824 2.718 1.00 45.20 H new ATOM 0 HG SER B 90 15.250 -8.869 3.834 1.00 24.12 H new ATOM 3228 N VAL B 91 16.172 -3.976 4.845 1.00 75.11 N ATOM 3229 CA VAL B 91 15.822 -2.561 4.799 1.00 24.23 C ATOM 3230 C VAL B 91 17.061 -1.763 4.455 1.00 75.04 C ATOM 3231 O VAL B 91 16.999 -0.849 3.658 1.00 61.41 O ATOM 3232 CB VAL B 91 15.118 -1.990 6.101 1.00 55.12 C ATOM 3233 CG1 VAL B 91 14.021 -2.898 6.582 1.00 62.24 C ATOM 3234 CG2 VAL B 91 16.067 -1.594 7.234 1.00 31.42 C ATOM 0 H VAL B 91 16.076 -4.420 5.758 1.00 75.11 H new ATOM 0 HA VAL B 91 15.061 -2.458 4.026 1.00 24.23 H new ATOM 0 HB VAL B 91 14.672 -1.048 5.781 1.00 55.12 H new ATOM 0 HG11 VAL B 91 13.563 -2.473 7.475 1.00 62.24 H new ATOM 0 HG12 VAL B 91 13.267 -3.003 5.802 1.00 62.24 H new ATOM 0 HG13 VAL B 91 14.437 -3.877 6.818 1.00 62.24 H new ATOM 0 HG21 VAL B 91 15.489 -1.216 8.077 1.00 31.42 H new ATOM 0 HG22 VAL B 91 16.641 -2.465 7.549 1.00 31.42 H new ATOM 0 HG23 VAL B 91 16.748 -0.818 6.884 1.00 31.42 H new ATOM 3244 N ASP B 92 18.207 -2.169 5.024 1.00 43.51 N ATOM 3245 CA ASP B 92 19.506 -1.551 4.721 1.00 63.12 C ATOM 3246 C ASP B 92 19.839 -1.597 3.248 1.00 33.20 C ATOM 3247 O ASP B 92 20.423 -0.663 2.702 1.00 3.32 O ATOM 3248 CB ASP B 92 20.621 -2.234 5.488 1.00 20.24 C ATOM 3249 CG ASP B 92 21.016 -1.559 6.775 1.00 64.43 C ATOM 3250 OD1 ASP B 92 20.300 -0.653 7.259 1.00 61.52 O ATOM 3251 OD2 ASP B 92 22.099 -1.886 7.278 1.00 65.31 O ATOM 0 H ASP B 92 18.259 -2.929 5.702 1.00 43.51 H new ATOM 0 HA ASP B 92 19.422 -0.508 5.025 1.00 63.12 H new ATOM 0 HB2 ASP B 92 20.315 -3.256 5.711 1.00 20.24 H new ATOM 0 HB3 ASP B 92 21.498 -2.297 4.844 1.00 20.24 H new ATOM 3256 N ALA B 93 19.475 -2.682 2.612 1.00 64.53 N ATOM 3257 CA ALA B 93 19.731 -2.857 1.200 1.00 61.14 C ATOM 3258 C ALA B 93 18.790 -1.979 0.371 1.00 11.32 C ATOM 3259 O ALA B 93 19.182 -1.419 -0.653 1.00 70.42 O ATOM 3260 CB ALA B 93 19.586 -4.320 0.822 1.00 5.00 C ATOM 0 H ALA B 93 18.995 -3.467 3.053 1.00 64.53 H new ATOM 0 HA ALA B 93 20.754 -2.547 0.985 1.00 61.14 H new ATOM 0 HB1 ALA B 93 19.781 -4.442 -0.244 1.00 5.00 H new ATOM 0 HB2 ALA B 93 20.300 -4.915 1.392 1.00 5.00 H new ATOM 0 HB3 ALA B 93 18.573 -4.655 1.046 1.00 5.00 H new ATOM 3266 N ALA B 94 17.567 -1.836 0.847 1.00 64.44 N ATOM 3267 CA ALA B 94 16.556 -1.051 0.161 1.00 23.14 C ATOM 3268 C ALA B 94 16.814 0.452 0.339 1.00 33.01 C ATOM 3269 O ALA B 94 16.698 1.221 -0.597 1.00 43.31 O ATOM 3270 CB ALA B 94 15.164 -1.431 0.655 1.00 5.45 C ATOM 0 H ALA B 94 17.246 -2.259 1.718 1.00 64.44 H new ATOM 0 HA ALA B 94 16.613 -1.272 -0.905 1.00 23.14 H new ATOM 0 HB1 ALA B 94 14.417 -0.834 0.132 1.00 5.45 H new ATOM 0 HB2 ALA B 94 14.985 -2.488 0.461 1.00 5.45 H new ATOM 0 HB3 ALA B 94 15.094 -1.242 1.726 1.00 5.45 H new ATOM 3276 N VAL B 95 17.166 0.851 1.551 1.00 22.52 N ATOM 3277 CA VAL B 95 17.475 2.258 1.845 1.00 20.05 C ATOM 3278 C VAL B 95 18.678 2.757 1.044 1.00 22.11 C ATOM 3279 O VAL B 95 18.821 3.938 0.819 1.00 73.42 O ATOM 3280 CB VAL B 95 17.683 2.551 3.356 1.00 72.52 C ATOM 3281 CG1 VAL B 95 16.483 2.122 4.163 1.00 53.13 C ATOM 3282 CG2 VAL B 95 18.956 1.925 3.889 1.00 61.41 C ATOM 0 H VAL B 95 17.247 0.227 2.353 1.00 22.52 H new ATOM 0 HA VAL B 95 16.588 2.810 1.534 1.00 20.05 H new ATOM 0 HB VAL B 95 17.792 3.630 3.461 1.00 72.52 H new ATOM 0 HG11 VAL B 95 16.657 2.339 5.217 1.00 53.13 H new ATOM 0 HG12 VAL B 95 15.602 2.665 3.821 1.00 53.13 H new ATOM 0 HG13 VAL B 95 16.322 1.052 4.035 1.00 53.13 H new ATOM 0 HG21 VAL B 95 19.059 2.157 4.949 1.00 61.41 H new ATOM 0 HG22 VAL B 95 18.913 0.844 3.756 1.00 61.41 H new ATOM 0 HG23 VAL B 95 19.813 2.324 3.346 1.00 61.41 H new ATOM 3292 N ALA B 96 19.539 1.838 0.610 1.00 31.43 N ATOM 3293 CA ALA B 96 20.684 2.192 -0.231 1.00 31.53 C ATOM 3294 C ALA B 96 20.211 2.617 -1.631 1.00 21.40 C ATOM 3295 O ALA B 96 20.942 3.259 -2.385 1.00 33.43 O ATOM 3296 CB ALA B 96 21.648 1.014 -0.329 1.00 44.02 C ATOM 0 H ALA B 96 19.467 0.844 0.826 1.00 31.43 H new ATOM 0 HA ALA B 96 21.206 3.033 0.225 1.00 31.53 H new ATOM 0 HB1 ALA B 96 22.496 1.289 -0.957 1.00 44.02 H new ATOM 0 HB2 ALA B 96 22.004 0.752 0.667 1.00 44.02 H new ATOM 0 HB3 ALA B 96 21.134 0.159 -0.767 1.00 44.02 H new ATOM 3302 N MET B 97 18.974 2.281 -1.935 1.00 2.04 N ATOM 3303 CA MET B 97 18.348 2.557 -3.220 1.00 73.24 C ATOM 3304 C MET B 97 17.429 3.784 -3.077 1.00 53.51 C ATOM 3305 O MET B 97 16.758 4.164 -4.029 1.00 53.44 O ATOM 3306 CB MET B 97 17.470 1.348 -3.595 1.00 53.30 C ATOM 3307 CG MET B 97 16.932 1.345 -5.008 1.00 34.41 C ATOM 3308 SD MET B 97 15.514 0.239 -5.245 1.00 12.50 S ATOM 3309 CE MET B 97 15.982 -1.216 -4.315 1.00 13.51 C ATOM 0 H MET B 97 18.358 1.797 -1.282 1.00 2.04 H new ATOM 0 HA MET B 97 19.110 2.741 -3.977 1.00 73.24 H new ATOM 0 HB2 MET B 97 18.052 0.439 -3.445 1.00 53.30 H new ATOM 0 HB3 MET B 97 16.628 1.305 -2.904 1.00 53.30 H new ATOM 0 HG2 MET B 97 16.639 2.360 -5.278 1.00 34.41 H new ATOM 0 HG3 MET B 97 17.729 1.051 -5.690 1.00 34.41 H new ATOM 0 HE1 MET B 97 15.315 -2.040 -4.568 1.00 13.51 H new ATOM 0 HE2 MET B 97 17.008 -1.491 -4.561 1.00 13.51 H new ATOM 0 HE3 MET B 97 15.909 -1.005 -3.248 1.00 13.51 H new ATOM 3319 N ASP B 98 17.422 4.391 -1.865 1.00 25.51 N ATOM 3320 CA ASP B 98 16.489 5.487 -1.488 1.00 71.50 C ATOM 3321 C ASP B 98 16.133 6.469 -2.581 1.00 51.13 C ATOM 3322 O ASP B 98 14.968 6.727 -2.765 1.00 2.41 O ATOM 3323 CB ASP B 98 16.905 6.239 -0.208 1.00 63.24 C ATOM 3324 CG ASP B 98 18.130 7.114 -0.349 1.00 3.14 C ATOM 3325 OD1 ASP B 98 19.245 6.619 -0.193 1.00 31.41 O ATOM 3326 OD2 ASP B 98 17.978 8.332 -0.572 1.00 22.11 O ATOM 0 H ASP B 98 18.066 4.134 -1.116 1.00 25.51 H new ATOM 0 HA ASP B 98 15.573 4.932 -1.286 1.00 71.50 H new ATOM 0 HB2 ASP B 98 16.070 6.859 0.118 1.00 63.24 H new ATOM 0 HB3 ASP B 98 17.087 5.509 0.581 1.00 63.24 H new ATOM 3331 N GLU B 99 17.081 7.034 -3.292 1.00 31.22 N ATOM 3332 CA GLU B 99 16.698 7.915 -4.349 1.00 44.11 C ATOM 3333 C GLU B 99 17.126 7.359 -5.705 1.00 34.04 C ATOM 3334 O GLU B 99 18.281 7.496 -6.137 1.00 23.24 O ATOM 3335 CB GLU B 99 17.185 9.340 -4.098 1.00 75.03 C ATOM 3336 CG GLU B 99 16.657 10.361 -5.088 1.00 24.13 C ATOM 3337 CD GLU B 99 17.052 11.761 -4.727 1.00 31.43 C ATOM 3338 OE1 GLU B 99 18.134 12.208 -5.155 1.00 11.35 O ATOM 3339 OE2 GLU B 99 16.291 12.447 -4.001 1.00 70.24 O ATOM 0 H GLU B 99 18.084 6.902 -3.160 1.00 31.22 H new ATOM 0 HA GLU B 99 15.610 7.975 -4.369 1.00 44.11 H new ATOM 0 HB2 GLU B 99 16.892 9.640 -3.092 1.00 75.03 H new ATOM 0 HB3 GLU B 99 18.275 9.350 -4.129 1.00 75.03 H new ATOM 0 HG2 GLU B 99 17.032 10.126 -6.084 1.00 24.13 H new ATOM 0 HG3 GLU B 99 15.570 10.293 -5.132 1.00 24.13 H new ATOM 3346 N THR B 100 16.214 6.661 -6.303 1.00 5.41 N ATOM 3347 CA THR B 100 16.408 6.095 -7.611 1.00 62.14 C ATOM 3348 C THR B 100 15.161 6.339 -8.478 1.00 4.45 C ATOM 3349 O THR B 100 14.141 6.814 -7.987 1.00 61.24 O ATOM 3350 CB THR B 100 16.742 4.569 -7.530 1.00 23.02 C ATOM 3351 OG1 THR B 100 17.175 4.083 -8.811 1.00 15.01 O ATOM 3352 CG2 THR B 100 15.527 3.766 -7.084 1.00 2.24 C ATOM 0 H THR B 100 15.300 6.462 -5.896 1.00 5.41 H new ATOM 0 HA THR B 100 17.262 6.589 -8.075 1.00 62.14 H new ATOM 0 HB THR B 100 17.540 4.445 -6.798 1.00 23.02 H new ATOM 0 HG1 THR B 100 17.382 3.127 -8.745 1.00 15.01 H new ATOM 0 HG21 THR B 100 15.787 2.709 -7.036 1.00 2.24 H new ATOM 0 HG22 THR B 100 15.208 4.106 -6.099 1.00 2.24 H new ATOM 0 HG23 THR B 100 14.715 3.908 -7.797 1.00 2.24 H new ATOM 3360 N VAL B 101 15.243 6.008 -9.744 1.00 42.43 N ATOM 3361 CA VAL B 101 14.143 6.199 -10.647 1.00 2.25 C ATOM 3362 C VAL B 101 13.443 4.854 -10.867 1.00 50.31 C ATOM 3363 O VAL B 101 14.091 3.834 -11.148 1.00 2.01 O ATOM 3364 CB VAL B 101 14.608 6.833 -12.002 1.00 74.21 C ATOM 3365 CG1 VAL B 101 15.609 5.952 -12.731 1.00 63.33 C ATOM 3366 CG2 VAL B 101 13.425 7.164 -12.892 1.00 65.23 C ATOM 0 H VAL B 101 16.074 5.600 -10.173 1.00 42.43 H new ATOM 0 HA VAL B 101 13.438 6.904 -10.206 1.00 2.25 H new ATOM 0 HB VAL B 101 15.117 7.765 -11.757 1.00 74.21 H new ATOM 0 HG11 VAL B 101 15.903 6.431 -13.665 1.00 63.33 H new ATOM 0 HG12 VAL B 101 16.489 5.806 -12.105 1.00 63.33 H new ATOM 0 HG13 VAL B 101 15.153 4.986 -12.947 1.00 63.33 H new ATOM 0 HG21 VAL B 101 13.782 7.602 -13.824 1.00 65.23 H new ATOM 0 HG22 VAL B 101 12.867 6.253 -13.110 1.00 65.23 H new ATOM 0 HG23 VAL B 101 12.774 7.875 -12.383 1.00 65.23 H new ATOM 3376 N PHE B 102 12.157 4.837 -10.693 1.00 43.53 N ATOM 3377 CA PHE B 102 11.396 3.631 -10.824 1.00 73.12 C ATOM 3378 C PHE B 102 10.200 3.896 -11.737 1.00 52.43 C ATOM 3379 O PHE B 102 9.373 4.771 -11.460 1.00 4.20 O ATOM 3380 CB PHE B 102 10.974 3.179 -9.426 1.00 31.31 C ATOM 3381 CG PHE B 102 10.347 1.830 -9.344 1.00 10.40 C ATOM 3382 CD1 PHE B 102 11.063 0.705 -9.700 1.00 12.23 C ATOM 3383 CD2 PHE B 102 9.055 1.681 -8.895 1.00 31.03 C ATOM 3384 CE1 PHE B 102 10.501 -0.541 -9.615 1.00 61.13 C ATOM 3385 CE2 PHE B 102 8.488 0.430 -8.804 1.00 72.03 C ATOM 3386 CZ PHE B 102 9.214 -0.683 -9.166 1.00 40.04 C ATOM 0 H PHE B 102 11.604 5.660 -10.456 1.00 43.53 H new ATOM 0 HA PHE B 102 11.982 2.831 -11.278 1.00 73.12 H new ATOM 0 HB2 PHE B 102 11.852 3.191 -8.780 1.00 31.31 H new ATOM 0 HB3 PHE B 102 10.273 3.910 -9.024 1.00 31.31 H new ATOM 0 HD1 PHE B 102 12.079 0.809 -10.050 1.00 12.23 H new ATOM 0 HD2 PHE B 102 8.482 2.552 -8.612 1.00 31.03 H new ATOM 0 HE1 PHE B 102 11.072 -1.412 -9.902 1.00 61.13 H new ATOM 0 HE2 PHE B 102 7.474 0.321 -8.449 1.00 72.03 H new ATOM 0 HZ PHE B 102 8.770 -1.665 -9.096 1.00 40.04 H new ATOM 3396 N ARG B 103 10.153 3.159 -12.843 1.00 53.00 N ATOM 3397 CA ARG B 103 9.159 3.297 -13.927 1.00 2.01 C ATOM 3398 C ARG B 103 9.029 4.762 -14.418 1.00 73.45 C ATOM 3399 O ARG B 103 7.976 5.236 -14.845 1.00 2.03 O ATOM 3400 CB ARG B 103 7.814 2.639 -13.567 1.00 10.14 C ATOM 3401 CG ARG B 103 6.863 2.524 -14.761 1.00 34.51 C ATOM 3402 CD ARG B 103 5.636 1.699 -14.453 1.00 71.32 C ATOM 3403 NE ARG B 103 5.985 0.341 -14.050 1.00 4.33 N ATOM 3404 CZ ARG B 103 5.785 -0.764 -14.773 1.00 73.41 C ATOM 3405 NH1 ARG B 103 5.295 -0.678 -16.008 1.00 40.44 N ATOM 3406 NH2 ARG B 103 6.100 -1.949 -14.266 1.00 32.45 N ATOM 0 H ARG B 103 10.829 2.417 -13.025 1.00 53.00 H new ATOM 0 HA ARG B 103 9.534 2.738 -14.785 1.00 2.01 H new ATOM 0 HB2 ARG B 103 8.000 1.645 -13.161 1.00 10.14 H new ATOM 0 HB3 ARG B 103 7.332 3.219 -12.780 1.00 10.14 H new ATOM 0 HG2 ARG B 103 6.556 3.522 -15.072 1.00 34.51 H new ATOM 0 HG3 ARG B 103 7.394 2.077 -15.601 1.00 34.51 H new ATOM 0 HD2 ARG B 103 5.065 2.179 -13.658 1.00 71.32 H new ATOM 0 HD3 ARG B 103 4.992 1.663 -15.331 1.00 71.32 H new ATOM 0 HE ARG B 103 6.420 0.225 -13.135 1.00 4.33 H new ATOM 0 HH11 ARG B 103 5.071 0.234 -16.405 1.00 40.44 H new ATOM 0 HH12 ARG B 103 5.144 -1.524 -16.557 1.00 40.44 H new ATOM 0 HH21 ARG B 103 6.493 -2.014 -13.327 1.00 32.45 H new ATOM 0 HH22 ARG B 103 5.949 -2.795 -14.815 1.00 32.45 H new ATOM 3420 N GLY B 104 10.132 5.442 -14.375 1.00 1.31 N ATOM 3421 CA GLY B 104 10.217 6.755 -14.947 1.00 63.12 C ATOM 3422 C GLY B 104 10.094 7.875 -13.950 1.00 0.51 C ATOM 3423 O GLY B 104 10.191 9.040 -14.330 1.00 54.31 O ATOM 0 H GLY B 104 10.995 5.108 -13.946 1.00 1.31 H new ATOM 0 HA2 GLY B 104 11.170 6.851 -15.467 1.00 63.12 H new ATOM 0 HA3 GLY B 104 9.433 6.864 -15.696 1.00 63.12 H new ATOM 3427 N ARG B 105 9.866 7.564 -12.690 1.00 11.24 N ATOM 3428 CA ARG B 105 9.819 8.614 -11.698 1.00 54.55 C ATOM 3429 C ARG B 105 10.662 8.288 -10.479 1.00 15.41 C ATOM 3430 O ARG B 105 10.835 7.126 -10.133 1.00 13.25 O ATOM 3431 CB ARG B 105 8.391 9.070 -11.349 1.00 75.32 C ATOM 3432 CG ARG B 105 7.435 8.047 -10.733 1.00 72.25 C ATOM 3433 CD ARG B 105 6.087 8.734 -10.491 1.00 70.42 C ATOM 3434 NE ARG B 105 5.093 7.930 -9.779 1.00 61.43 N ATOM 3435 CZ ARG B 105 3.770 8.208 -9.772 1.00 4.13 C ATOM 3436 NH1 ARG B 105 3.303 9.234 -10.481 1.00 24.40 N ATOM 3437 NH2 ARG B 105 2.922 7.473 -9.048 1.00 44.22 N ATOM 0 H ARG B 105 9.714 6.619 -12.337 1.00 11.24 H new ATOM 0 HA ARG B 105 10.278 9.486 -12.163 1.00 54.55 H new ATOM 0 HB2 ARG B 105 8.469 9.910 -10.659 1.00 75.32 H new ATOM 0 HB3 ARG B 105 7.930 9.449 -12.261 1.00 75.32 H new ATOM 0 HG2 ARG B 105 7.312 7.193 -11.399 1.00 72.25 H new ATOM 0 HG3 ARG B 105 7.840 7.665 -9.796 1.00 72.25 H new ATOM 0 HD2 ARG B 105 6.261 9.650 -9.926 1.00 70.42 H new ATOM 0 HD3 ARG B 105 5.670 9.028 -11.454 1.00 70.42 H new ATOM 0 HE ARG B 105 5.416 7.114 -9.259 1.00 61.43 H new ATOM 0 HH11 ARG B 105 3.943 9.809 -11.029 1.00 24.40 H new ATOM 0 HH12 ARG B 105 2.305 9.445 -10.477 1.00 24.40 H new ATOM 0 HH21 ARG B 105 3.270 6.692 -8.492 1.00 44.22 H new ATOM 0 HH22 ARG B 105 1.926 7.693 -9.051 1.00 44.22 H new ATOM 3451 N THR B 106 11.195 9.316 -9.855 1.00 22.34 N ATOM 3452 CA THR B 106 12.121 9.161 -8.740 1.00 34.42 C ATOM 3453 C THR B 106 11.379 8.762 -7.466 1.00 32.24 C ATOM 3454 O THR B 106 10.443 9.442 -7.048 1.00 2.51 O ATOM 3455 CB THR B 106 12.874 10.481 -8.487 1.00 12.42 C ATOM 3456 OG1 THR B 106 13.453 10.955 -9.728 1.00 62.04 O ATOM 3457 CG2 THR B 106 13.987 10.286 -7.461 1.00 22.11 C ATOM 0 H THR B 106 11.002 10.287 -10.102 1.00 22.34 H new ATOM 0 HA THR B 106 12.829 8.375 -9.001 1.00 34.42 H new ATOM 0 HB THR B 106 12.163 11.211 -8.100 1.00 12.42 H new ATOM 0 HG1 THR B 106 13.930 11.796 -9.566 1.00 62.04 H new ATOM 0 HG21 THR B 106 14.503 11.232 -7.300 1.00 22.11 H new ATOM 0 HG22 THR B 106 13.558 9.942 -6.520 1.00 22.11 H new ATOM 0 HG23 THR B 106 14.696 9.544 -7.829 1.00 22.11 H new ATOM 3465 N ILE B 107 11.789 7.674 -6.869 1.00 35.15 N ATOM 3466 CA ILE B 107 11.182 7.203 -5.642 1.00 73.31 C ATOM 3467 C ILE B 107 12.061 7.527 -4.445 1.00 14.54 C ATOM 3468 O ILE B 107 13.188 8.006 -4.595 1.00 33.43 O ATOM 3469 CB ILE B 107 10.921 5.667 -5.667 1.00 41.04 C ATOM 3470 CG1 ILE B 107 12.245 4.881 -5.816 1.00 34.21 C ATOM 3471 CG2 ILE B 107 9.943 5.314 -6.782 1.00 3.44 C ATOM 3472 CD1 ILE B 107 12.097 3.368 -5.734 1.00 63.31 C ATOM 0 H ILE B 107 12.549 7.088 -7.214 1.00 35.15 H new ATOM 0 HA ILE B 107 10.226 7.718 -5.554 1.00 73.31 H new ATOM 0 HB ILE B 107 10.473 5.379 -4.716 1.00 41.04 H new ATOM 0 HG12 ILE B 107 12.698 5.137 -6.774 1.00 34.21 H new ATOM 0 HG13 ILE B 107 12.936 5.208 -5.039 1.00 34.21 H new ATOM 0 HG21 ILE B 107 9.770 4.238 -6.787 1.00 3.44 H new ATOM 0 HG22 ILE B 107 8.999 5.832 -6.615 1.00 3.44 H new ATOM 0 HG23 ILE B 107 10.360 5.619 -7.742 1.00 3.44 H new ATOM 0 HD11 ILE B 107 13.075 2.900 -5.849 1.00 63.31 H new ATOM 0 HD12 ILE B 107 11.676 3.096 -4.766 1.00 63.31 H new ATOM 0 HD13 ILE B 107 11.435 3.024 -6.528 1.00 63.31 H new ATOM 3484 N LYS B 108 11.520 7.296 -3.270 1.00 40.24 N ATOM 3485 CA LYS B 108 12.217 7.510 -2.023 1.00 25.31 C ATOM 3486 C LYS B 108 11.959 6.318 -1.134 1.00 4.34 C ATOM 3487 O LYS B 108 10.817 5.897 -0.993 1.00 71.54 O ATOM 3488 CB LYS B 108 11.749 8.808 -1.328 1.00 53.14 C ATOM 3489 CG LYS B 108 12.468 9.104 -0.010 1.00 14.14 C ATOM 3490 CD LYS B 108 13.964 9.247 -0.236 1.00 32.22 C ATOM 3491 CE LYS B 108 14.719 9.500 1.059 1.00 53.22 C ATOM 3492 NZ LYS B 108 16.162 9.744 0.813 1.00 12.32 N ATOM 0 H LYS B 108 10.568 6.949 -3.153 1.00 40.24 H new ATOM 0 HA LYS B 108 13.284 7.619 -2.219 1.00 25.31 H new ATOM 0 HB2 LYS B 108 11.900 9.646 -2.008 1.00 53.14 H new ATOM 0 HB3 LYS B 108 10.678 8.740 -1.138 1.00 53.14 H new ATOM 0 HG2 LYS B 108 12.072 10.020 0.429 1.00 14.14 H new ATOM 0 HG3 LYS B 108 12.278 8.301 0.702 1.00 14.14 H new ATOM 0 HD2 LYS B 108 14.347 8.341 -0.707 1.00 32.22 H new ATOM 0 HD3 LYS B 108 14.148 10.068 -0.928 1.00 32.22 H new ATOM 0 HE2 LYS B 108 14.286 10.360 1.571 1.00 53.22 H new ATOM 0 HE3 LYS B 108 14.602 8.643 1.722 1.00 53.22 H new ATOM 0 HZ1 LYS B 108 16.688 9.643 1.705 1.00 12.32 H new ATOM 0 HZ2 LYS B 108 16.518 9.054 0.121 1.00 12.32 H new ATOM 0 HZ3 LYS B 108 16.293 10.706 0.441 1.00 12.32 H new ATOM 3506 N VAL B 109 13.002 5.770 -0.545 1.00 54.44 N ATOM 3507 CA VAL B 109 12.869 4.590 0.283 1.00 12.31 C ATOM 3508 C VAL B 109 13.515 4.847 1.656 1.00 1.22 C ATOM 3509 O VAL B 109 14.615 5.405 1.733 1.00 23.32 O ATOM 3510 CB VAL B 109 13.547 3.333 -0.381 1.00 75.42 C ATOM 3511 CG1 VAL B 109 13.274 2.063 0.412 1.00 15.23 C ATOM 3512 CG2 VAL B 109 13.109 3.156 -1.828 1.00 52.35 C ATOM 0 H VAL B 109 13.955 6.125 -0.625 1.00 54.44 H new ATOM 0 HA VAL B 109 11.805 4.382 0.398 1.00 12.31 H new ATOM 0 HB VAL B 109 14.622 3.516 -0.371 1.00 75.42 H new ATOM 0 HG11 VAL B 109 13.758 1.218 -0.077 1.00 15.23 H new ATOM 0 HG12 VAL B 109 13.669 2.173 1.422 1.00 15.23 H new ATOM 0 HG13 VAL B 109 12.199 1.888 0.460 1.00 15.23 H new ATOM 0 HG21 VAL B 109 13.598 2.279 -2.251 1.00 52.35 H new ATOM 0 HG22 VAL B 109 12.028 3.023 -1.867 1.00 52.35 H new ATOM 0 HG23 VAL B 109 13.387 4.039 -2.403 1.00 52.35 H new ATOM 3522 N LEU B 110 12.833 4.476 2.725 1.00 51.40 N ATOM 3523 CA LEU B 110 13.397 4.554 4.078 1.00 15.41 C ATOM 3524 C LEU B 110 12.846 3.344 4.812 1.00 74.12 C ATOM 3525 O LEU B 110 11.952 2.708 4.291 1.00 61.31 O ATOM 3526 CB LEU B 110 12.919 5.709 4.969 1.00 50.31 C ATOM 3527 CG LEU B 110 12.687 7.117 4.560 1.00 71.41 C ATOM 3528 CD1 LEU B 110 11.515 7.226 3.616 1.00 75.40 C ATOM 3529 CD2 LEU B 110 12.372 7.804 5.858 1.00 31.33 C ATOM 0 H LEU B 110 11.880 4.114 2.690 1.00 51.40 H new ATOM 0 HA LEU B 110 14.473 4.653 3.934 1.00 15.41 H new ATOM 0 HB2 LEU B 110 11.974 5.373 5.396 1.00 50.31 H new ATOM 0 HB3 LEU B 110 13.638 5.760 5.786 1.00 50.31 H new ATOM 0 HG LEU B 110 13.539 7.547 4.033 1.00 71.41 H new ATOM 0 HD11 LEU B 110 11.370 8.269 3.335 1.00 75.40 H new ATOM 0 HD12 LEU B 110 11.711 6.633 2.723 1.00 75.40 H new ATOM 0 HD13 LEU B 110 10.616 6.855 4.108 1.00 75.40 H new ATOM 0 HD21 LEU B 110 12.181 8.861 5.673 1.00 31.33 H new ATOM 0 HD22 LEU B 110 11.489 7.349 6.306 1.00 31.33 H new ATOM 0 HD23 LEU B 110 13.217 7.701 6.539 1.00 31.33 H new ATOM 3541 N PRO B 111 13.336 3.008 6.033 1.00 53.24 N ATOM 3542 CA PRO B 111 12.721 1.960 6.857 1.00 15.52 C ATOM 3543 C PRO B 111 11.384 2.470 7.459 1.00 53.13 C ATOM 3544 O PRO B 111 11.205 3.689 7.671 1.00 10.52 O ATOM 3545 CB PRO B 111 13.759 1.749 7.966 1.00 65.51 C ATOM 3546 CG PRO B 111 14.404 3.078 8.095 1.00 50.34 C ATOM 3547 CD PRO B 111 14.521 3.598 6.715 1.00 12.15 C ATOM 0 HA PRO B 111 12.485 1.050 6.304 1.00 15.52 H new ATOM 0 HB2 PRO B 111 13.291 1.438 8.900 1.00 65.51 H new ATOM 0 HB3 PRO B 111 14.481 0.977 7.699 1.00 65.51 H new ATOM 0 HG2 PRO B 111 13.806 3.745 8.716 1.00 50.34 H new ATOM 0 HG3 PRO B 111 15.383 2.995 8.567 1.00 50.34 H new ATOM 0 HD2 PRO B 111 14.499 4.688 6.691 1.00 12.15 H new ATOM 0 HD3 PRO B 111 15.454 3.287 6.244 1.00 12.15 H new ATOM 3555 N LYS B 112 10.458 1.568 7.713 1.00 31.13 N ATOM 3556 CA LYS B 112 9.166 1.949 8.265 1.00 55.32 C ATOM 3557 C LYS B 112 9.226 2.009 9.798 1.00 2.11 C ATOM 3558 O LYS B 112 9.881 1.185 10.441 1.00 24.00 O ATOM 3559 CB LYS B 112 8.065 0.947 7.868 1.00 23.24 C ATOM 3560 CG LYS B 112 6.662 1.339 8.386 1.00 0.25 C ATOM 3561 CD LYS B 112 5.662 0.181 8.360 1.00 35.32 C ATOM 3562 CE LYS B 112 5.482 -0.409 6.991 1.00 63.51 C ATOM 3563 NZ LYS B 112 4.535 -1.551 6.996 1.00 51.31 N ATOM 0 H LYS B 112 10.572 0.568 7.548 1.00 31.13 H new ATOM 0 HA LYS B 112 8.927 2.932 7.858 1.00 55.32 H new ATOM 0 HB2 LYS B 112 8.033 0.865 6.782 1.00 23.24 H new ATOM 0 HB3 LYS B 112 8.325 -0.039 8.254 1.00 23.24 H new ATOM 0 HG2 LYS B 112 6.750 1.711 9.407 1.00 0.25 H new ATOM 0 HG3 LYS B 112 6.275 2.158 7.780 1.00 0.25 H new ATOM 0 HD2 LYS B 112 5.999 -0.598 9.044 1.00 35.32 H new ATOM 0 HD3 LYS B 112 4.698 0.533 8.728 1.00 35.32 H new ATOM 0 HE2 LYS B 112 5.118 0.360 6.310 1.00 63.51 H new ATOM 0 HE3 LYS B 112 6.448 -0.741 6.610 1.00 63.51 H new ATOM 0 HZ1 LYS B 112 4.580 -2.043 6.081 1.00 51.31 H new ATOM 0 HZ2 LYS B 112 4.791 -2.211 7.758 1.00 51.31 H new ATOM 0 HZ3 LYS B 112 3.569 -1.200 7.153 1.00 51.31 H new